SCHEMBL990719

SCHEMBL990719

Oc1ccccc1CCBr

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.60
HSPA5 P11021 1/20 0.56
HTR1A P08908 1/20 0.53
MPO P05164 4/20 0.52
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
HIF1A Q16665 1/20 0.50
SLC6A4 P31645 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
AKR1B1 P15121 1/20 0.48
IDO1 P14902 2/20 0.46
CA12 O43570 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 1/20 0.45
KEAP1 Q14145 1/20 0.45
MGLL Q99685 1/20 0.44

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
SCHEMBL29788064 1.00 TAAR1 (0.60) TAAR1HSPA5HTR1AMPOCYP2D6
SCHEMBL4617147 0.86 TAAR1 (0.56) TAAR1HSPA5HTR1AMPOCYP2D6
SCHEMBL1171657 0.84 TAAR1 (0.54) TAAR1HSPA5HTR1AMPOCYP2D6
SCHEMBL29706272 0.84 TAAR1 (0.71) TAAR1HSPA5HTR1AMPOCYP2D6
SCHEMBL1222973 0.84 TAAR1 (0.71) TAAR1HSPA5HTR1AMPOCYP2D6
SCHEMBL16238934 0.82 MGLL (0.56) TAAR1HSPA5HTR1AMPOCYP2D6
SCHEMBL9116334 0.82 MGLL (0.56) TAAR1HSPA5HTR1AMPOCYP2D6
SCHEMBL1171532 0.82 MGLL (0.56) TAAR1HSPA5HTR1AMPOCYP2D6
SCHEMBL29706378 0.81 TAAR1 (0.68) TAAR1HSPA5HTR1AMPOCYP2D6
SCHEMBL30600 0.81 TDP1 (0.55) TAAR1HSPA5HTR1ATSHRIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024145659-A1 HETEROCYCLE FUSED GAMMA-CARBOLINES ACTING ON THE SEROTONINE 5-HT2A RECEPTOR INTRA-CELLULAR THERAPIES, INC. (US) 2024-07-04 WO disclosed
CN-109476683-B Phenolic transition metal complexes, their production and use 埃克森美孚化学专利公司 2022-07-22 CN disclosed
CN-113620821-A Preparation method of hordenine hydrochloride 广汉市派瑞林科技有限责任公司 2021-11-09 CN disclosed
EP-3490998-B1 PHENOLATE TRANSITION METAL COMPLEXES, PRODUCTION AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC (US) 2021-05-26 EP disclosed
EP-3490998-B1 PHENOLATE TRANSITION METAL COMPLEXES, PRODUCTION AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC (US) 2021-05-26 EP disclosed
CN-112041296-A Aminoacetamides containing benzo-oxy-alicyclic structure and use thereof 上海璃道医药科技有限公司 2020-12-04 CN disclosed
US-20200078353-A1 OLIGOMER-OPIOID AGONIST CONJUGATES INHERIS BIOPHARMA INC (US) 2020-03-12 US disclosed
CN-105503889-B Oligomer-opioid agonist conjugates 尼克塔治疗公司 2019-12-24 CN disclosed
US-20190247388-A1 OLIGOMER-OPIOID AGONIST CONJUGATES NEKTAR THERAPEUTICS 2019-08-15 US disclosed
EP-3490998-A1 PHENOLATE TRANSITION METAL COMPLEXES, PRODUCTION AND USE THEREOF ExxonMobil Chemical Patents Inc. (US) 2019-06-05 EP disclosed
CN-101679254-A The piperidines ketone that is used for inflammation treatment BIOLIPOX AB 2010-03-24 CN disclosed
US-20100048602-A1 Oligomer-Opioid Agonist Conjugates NEKTAR THERAPEUTICS (US) 2010-02-25 US disclosed
CN-101522657-A STAT3/5 activation inhibitor OTSUKA PHARMA CO LTD (JP) 2009-09-02 CN disclosed
CN-1993339-A Aromatic compound OTSUKA PHARMA CO LTD (JP) 2007-07-04 CN disclosed
US-6100293-A ANTIINFLAMMATORY AGENT EFFECTIVE IN THE PROPHYLAXIS OF ORGAN TRANSPLANT REJECTION; SIDE EFFECT REDUCTION MERCK & CO., INC. (US) 2000-08-08 US disclosed
US-6083980-A 3B,7,9A-TRIMETHYL-1,3,3A,3B,4,5,5A,6,9,9A,9B,10,11,11A-TETRADE CAHYDRO PHENANTHRO(1,2-C)FURAN DERIVATIVE USED AS IMMUNOSUPPRESSANT TO PREVENT GRAFTING REJECTION MERCK & CO., INC. (US) 2000-07-04 US disclosed
WO-1999020267-A1 FURANYL, TETRACYCLIC TRITERPENE DERIVATIVES WITH IMMUNOSUPPRESSANT ACTIVITY MERCK & CO., INC. (US) 1999-04-29 WO disclosed
WO-1999020274-A1 TETRACYCLIC TRITERPENE DERIVATIVES WITH IMMUNOSUPPRESSANT ACTIVITY MERCK & CO., INC. (US) 1999-04-29 WO disclosed
EP-0307106-A1 P- or m-tert butoxyphenethyl alcohol and process for preparing the same HOKKO CHEMICAL INDUSTRY CO., LTD (JP) 1989-03-15 EP disclosed
EP-0087714-B1 N-SUBSTITUTED (METH)-ACRYL AMIDE DERIVATIVES AND THEIR PREPARATION BASF Aktiengesellschaft (DE) 1984-12-05 EP disclosed

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

For each of this compound's patents that has machine-readable text (3 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-20200078353-A1 OLIGOMER-OPIOID AGONIST CONJUGATES OPRM1, OPRL1, OPRK1 TAAR1 180/4885HSPA5 1527/4885HTR1A 221/4885
US-20190247388-A1 OLIGOMER-OPIOID AGONIST CONJUGATES OPRM1, OPRL1, OPRK1 TAAR1 180/4885HSPA5 1527/4885HTR1A 221/4885
US-20100048602-A1 Oligomer-Opioid Agonist Conjugates OPRM1, OPRL1, OPRK1 TAAR1 180/4885HSPA5 1527/4885HTR1A 221/4885

“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.