SCHEMBL644545

SCHEMBL644545

COC1CNCCN1c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.54
SLC6A4 P31645 4/20 0.54
SLC6A3 Q01959 4/20 0.54
ADRB1 P08588 4/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
HTR2C P28335 9/20 0.40
HTR2B P41595 8/20 0.40
HTR2A P28223 7/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
HTR7 P34969 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL5793498 0.98 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3ADRB1HTR3E
Bromide SCHEMBL27797303 0.98 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3ADRB1HTR3E
Bicarbonate SCHEMBL11620060 0.94 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3ADRB1HTR3E
SCHEMBL2721007 0.84 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3ADRB1HTR3E
SCHEMBL5506036 0.84 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3ADRB1HTR3E
SCHEMBL14896054 0.84 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3ADRB1HTR3E
SCHEMBL15974677 0.83 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3ADRB1HTR3E
SCHEMBL8550985 0.82 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3ADRB1HTR3E
SCHEMBL27865382 0.82 OPRM1 (0.46) SLC6A2SLC6A4SLC6A3ADRB1HTR2C
SCHEMBL6606833 0.79 SIRT6 (0.52) ADRB1ALDH1A1MAPTHTR7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 171 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114163402-B Industrial preparation method of 3- [4- (2-methoxyphenyl) piperazine-1-yl ] propionitrile 河北一品生物医药有限公司 2023-08-04 CN claimed
US-20230150924-A1 NOVEL COMPOUND HAVING CANCER METASTASIS INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS AND INVASION OR TREATING COLORECTAL CANCER, COMPRISING COMPOUND CELLGENTEK CO., LTD. (KR) 2023-05-18 US claimed
CN-115108999-A Phenyl piperazine quinazoline compound or pharmaceutically acceptable salt thereof, preparation method and application 暨南大学 2022-09-27 CN claimed
CN-114920704-A Phenyl piperazine quinazoline compound or pharmaceutically acceptable salt thereof, preparation method and application 暨南大学 2022-08-19 CN claimed
EP-4019495-A1 NOVEL COMPOUND HAVING CANCER METASTASIS INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS AND INVASION OR TREATING COLORECTAL CANCER, COMPRISING COMPOUND Cellgentek Co., Ltd (KR) 2022-06-29 EP claimed
WO-2021034087-A1 NOVEL COMPOUND HAVING CANCER METASTASIS INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS AND INVASION OR TREATING COLORECTAL CANCER, COMPRISING COMPOUND 주식회사 셀젠텍 2021-02-25 WO claimed
WO-2021017996-A1 PHENYLPIPERAZINE QUINAZOLINE COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PREPARATION METHOD THEREFOR AND USE THEREOF 暨南大学 2021-02-04 WO claimed
CN-112300082-A Phenyl piperazine quinazoline compound or pharmaceutically acceptable salt thereof, preparation method and application 暨南大学 2021-02-02 CN claimed
CN-108341807-B Piperazine amide compound containing benzodioxane skeleton and preparation method and application thereof 平顶山学院 2020-07-28 CN claimed
US-20200060997-A1 TARR Receptor Agonists for Sexual Dysfunction JOHN MCCOY 2020-02-27 US claimed
CN-108341807-A Piperazine acidamide compound of the skeleton containing benzodioxan and its preparation method and application 平顶山学院 2018-07-31 CN claimed
CN-104230915-B Phenylpiperazine derivatives containing thiazolidinedione and preparation method thereof and purposes 南京大学 2016-08-17 CN claimed
CN-105777731-A Oxadiazole-containing piperazine derivative as well as preparation method and use thereof 山东理工大学 2016-07-20 CN claimed
CN-104230915-A Thiazolidinedione-containing phenylpiperazine derivatives as well as preparation method and applications of thiazolidinedione-containing phenylpiperazine derivatives NANJING UNIVERSITY OF TECHNOLOGY 2014-12-24 CN claimed
CN-103387549-A Racemates and optic isomers of three benzotriazolarylpiperazine compounds, and preparation method and use of racemates and optic isomers UNIV GUANGZHOU MEDICAL 2013-11-13 CN claimed
US-8309726-B2 Substituted piperazine compounds of formula 8 COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-11-13 US claimed
EP-2150527-B1 ANTHRANILIC ACID DERIVATIVE AS ANTICANCER AGENT AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2011-01-19 EP claimed
EP-2150527-A2 ANTHRANILIC ACID DERIVATIVE AS ANTICANCER AGENT AND A PROCESS FOR THE PREPARATION THEREOF Council of Scientific & Industrial Research (IN) 2010-02-10 EP claimed
US-20100016589-A1 Novel Anthranilic Acid Derivative as Potential Anticancer Agent and a Process for the Preparation Thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-01-21 US claimed
WO-2008114275-A2 ANTHRANILIC ACID DERIVATIVES AS ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2008-09-25 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100016589-A1 Novel Anthranilic Acid Derivative as Potential Anticancer Agent and a Process for the Preparation Thereof AADAC, API5, APEH SLC6A2 4617/4885SLC6A4 4354/4885SLC6A3 4769/4885
US-20230150924-A1 NOVEL COMPOUND HAVING CANCER METASTASIS INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS AND INVASION OR TREATING COLORECTAL CANCER, COMPRISING COMPOUND KNTC1, MED1, LEF1 SLC6A2 2376/4885SLC6A4 2015/4885SLC6A3 3126/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.