SCHEMBL111727

SCHEMBL111727

NCc1ccccc1CN1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 7/20 0.64
NCF1 P14598 1/20 0.56
ALDH1A1 P00352 3/20 0.55
CYP2C9 P11712 2/20 0.55
KMT2A Q03164 2/20 0.55
ALOX15 P16050 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MEN1 O00255 1/20 0.55
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
KDM4E B2RXH2 2/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CXCR4 P61073 1/20 0.49
HTT P42858 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
MPO P05164 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
SCHEMBL11193326 0.90 CYP2A13 (0.75) CYP2A13ALDH1A1CYP2C9KMT2AALOX15
SCHEMBL17585440 0.82 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL20237811 0.82 ALDH1A1 (0.53) NCF1ALDH1A1KMT2AKDM4ELMNA
SCHEMBL29668891 0.82 ALDH1A1 (0.53) NCF1ALDH1A1KMT2AKDM4ELMNA
SCHEMBL3738488 0.81 CYP2A13 (0.69) CYP2A13ALDH1A1CYP2C9KMT2AALOX15
SCHEMBL22711364 0.81 CYP2A13 (0.64) CYP2A13ALDH1A1CYP2C9KMT2AALOX15
SCHEMBL4108619 0.81 CYP2A13 (0.69) CYP2A13ALDH1A1CYP2C9KMT2AALOX15
SCHEMBL2338990 0.81 CYP2A13 (0.64) CYP2A13NCF1ALDH1A1CYP2C9KMT2A
SCHEMBL2251851 0.81 CYP2A13 (0.64) CYP2A13ALDH1A1CYP2C9KMT2AALOX15
SCHEMBL21800082 0.81 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117434198-A Method for detecting 2-aminomethyl-4-benzyl morpholine in 2-aminomethyl-4- (4-fluorobenzyl) morpholine 黑龙江珍宝岛药业股份有限公司鸡西分公司 2024-01-23 CN claimed
US-RE50878-E1 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors CALLIDITAS THERAPEUTICS SUISSE SA (CH) 2026-05-05 US disclosed
US-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2024-07-30 US disclosed
CN-117434198-A Method for detecting 2-aminomethyl-4-benzyl morpholine in 2-aminomethyl-4- (4-fluorobenzyl) morpholine 黑龙江珍宝岛药业股份有限公司鸡西分公司 2024-01-23 CN disclosed
CN-117434198-A Method for detecting 2-aminomethyl-4-benzyl morpholine in 2-aminomethyl-4- (4-fluorobenzyl) morpholine 黑龙江珍宝岛药业股份有限公司鸡西分公司 2024-01-23 CN disclosed
CN-117434198-A Method for detecting 2-aminomethyl-4-benzyl morpholine in 2-aminomethyl-4- (4-fluorobenzyl) morpholine 黑龙江珍宝岛药业股份有限公司鸡西分公司 2024-01-23 CN disclosed
US-20230149382-A1 TETRAHYDROQUINOLINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ASAHI KASEI PHARMA CORPORATION (JP) 2023-05-18 US disclosed
US-20230149382-A1 TETRAHYDROQUINOLINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ASAHI KASEI PHARMA CORPORATION (JP) 2023-05-18 US disclosed
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2021-09-09 US disclosed
US-11077100-B2 Tetrahydroquinoline derivatives as P2X7 receptor antagonists RAQUALIA PHARMA INC. (JP) 2021-08-03 US disclosed
WO-2008061108-A2 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO disclosed
WO-2008009077-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO disclosed
WO-2008009078-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO disclosed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO disclosed
WO-2008003149-A2 SUBSTITUTED PTERIDINES FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES , INC. (US) 2008-01-10 WO disclosed
EP-0420883-B1 TRICYCLIC 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION ERBA CARLO SPA (IT) 1993-11-03 EP disclosed
US-5166152-A Immunostimulants, bactericides, viricides, antitumor agents FARMITALIA CARLO ERBA S.R.L. (IT) 1992-11-24 US disclosed
EP-0420883-A1 TRICYCLIC 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION. ERBA CARLO SPA (IT) 1991-04-10 EP disclosed
WO-1989012638-A1 TRICYCLIC 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.R.L. (IT) 1989-12-28 WO disclosed
EP-0266576-A2 1-Tert-alkyl-substituted naphthyridine and quinoline carboxylic acids as antibacterial agents Bristol-Myers Squibb Company (US) 1988-05-11 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 (4 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-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR4A1 CYP2A13 1200/4885NCF1 1648/4885ALDH1A1 2743/4885
US-11077100-B2 Tetrahydroquinoline derivatives as P2X7 receptor antagonists P2RX7, P2RX3, P2RX1 CYP2A13 2294/4885NCF1 2713/4885ALDH1A1 2351/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 CYP2A13 1200/4885NCF1 1648/4885ALDH1A1 2743/4885
US-20230149382-A1 TETRAHYDROQUINOLINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX3, P2RX1 CYP2A13 2294/4885NCF1 2713/4885ALDH1A1 2351/4885

“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.