SCHEMBL6018191

SCHEMBL6018191

CC(CN)c1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.51
HTR2C P28335 1/20 0.51
HTR2B P41595 1/20 0.51
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
TAAR1 Q96RJ0 2/20 0.47
AOC3 Q16853 1/20 0.46
SLC6A4 P31645 1/20 0.44
ALOX5 P09917 1/20 0.43
ADRA2A P08913 2/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1B P35368 1/20 0.42

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
SCHEMBL29484444 1.00 HTR2A (0.51) HTR2AHTR2CHTR2BALDH1A1CYP1A2
SCHEMBL28422249 1.00 HTR2A (0.51) HTR2AHTR2CHTR2BALDH1A1CYP1A2
SCHEMBL28893602 1.00 HTR2A (0.51) HTR2AHTR2CHTR2BALDH1A1CYP1A2
Ammonia Solution, Strong SCHEMBL1780462 0.98 HTR2A (0.50) HTR2AHTR2CHTR2BALDH1A1CYP1A2
SCHEMBL6014505 0.85 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3
SCHEMBL28381940 0.84 ALDH1A1 (0.43) HTR2AHTR2CHTR2BALDH1A1CYP1A2
SCHEMBL6307997 0.82 HTR1B (0.45) HTR2AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2127427 0.82 TSHR (0.55) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3
SCHEMBL15211048 0.82 TSHR (0.55) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3
SCHEMBL3412393 0.80 CYP1A2 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111916571-A Red perovskite light emitting diode based on mixed halogen and preparation method thereof 华南理工大学 2020-11-10 CN claimed
JP-59007146-A None JP disclosed
CN-112494644-B Composite adjuvant, vaccine containing composite adjuvant and application 中国医学科学院医学生物学研究所 2024-02-06 CN disclosed
CN-111916571-B Red perovskite light emitting diode based on mixed halogen and preparation method thereof 华南理工大学 2022-03-29 CN disclosed
CN-112494644-A Compound adjuvant, vaccine containing compound adjuvant and application 中国医学科学院医学生物学研究所 2021-03-16 CN disclosed
CN-111916571-A Red perovskite light emitting diode based on mixed halogen and preparation method thereof 华南理工大学 2020-11-10 CN disclosed
US-7098215-B2 Nitrogenous compounds and antiviral drugs containing the same KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 2006-08-29 US disclosed
US-6869950-B1 Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-03-22 US disclosed
US-20040157818-A1 Cxcr4-antagonistic drugs composed of nitrogen-containing compound KUREHA CORPORATION (JP) 2004-08-12 US disclosed
US-20040092556-A1 Nitrogenous compounds and antiviral drugs containing the same KUREHA CORPORATION (JP) 2004-05-13 US disclosed
EP-1389460-A1 CXCR4-ANTAGONISTIC DRUGS COMPRISING NITROGEN-CONTAINING COMPOUND Kureha Chemical Industry Co., Ltd. (JP) 2004-02-18 EP disclosed
EP-1273571-A1 NITROGENOUS COMPOUNDS AND ANTIVIRAL DRUGS CONTAINING THE SAME Kureha Chemical Industry Co., Ltd. (JP) 2003-01-08 EP disclosed
EP-1142880-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
EP-0335641-B1 Organic nonlinear optical substance TEIJIN LTD (JP) 1994-01-05 EP disclosed
US-5196147-A Optical crystals TEIJIN LIMITED (JP) 1993-03-23 US disclosed
US-4987132-A PLATELET ACTIVATING FACTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-01-22 US disclosed
EP-0335641-A2 Organic nonlinear optical substance TEIJIN LIMITED (JP) 1989-10-04 EP disclosed
JP-S597146-A N-(1-BETA-NAPHTHYL-ISOPROPYL)PHENYLACETAMIDE DERIVATIVE, ITS PREPARATION AND HERBICIDE CONTAINING THE SAME IDEMITSU KOSAN CO LTD 1984-01-14 JP 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 (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-20040092556-A1 Nitrogenous compounds and antiviral drugs containing the same NSUN2, ZC3HAV1L, PNP HTR2A 3798/4885HTR2C 2709/4885HTR2B 3581/4885
US-20040157818-A1 Cxcr4-antagonistic drugs composed of nitrogen-containing compound CXCR4, CXCR1, CXCR2 HTR2A 1593/4885HTR2C 1876/4885HTR2B 1834/4885

“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.