SCHEMBL9100976

SCHEMBL9100976

CC(C)NOCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
IDO1 P14902 1/20 0.43
TAAR1 Q96RJ0 4/20 0.42
SIGMAR1 Q99720 2/20 0.42
SLC18A2 Q05940 1/20 0.42
AGXT P21549 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SLC6A2 P23975 2/20 0.40
MAOA P21397 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
MAOB P27338 1/20 0.40
CYP2A6 P11509 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40

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
SCHEMBL8150075 0.83 RAB9A (0.46) TSHRNPC1RAB9AALDH1A1
SCHEMBL10689037 0.82 SIGMAR1 (0.50) TSHRNPC1RAB9ASIGMAR1ALDH1A1
SCHEMBL9682048 0.81 RAB9A (0.49) NPC1RAB9AIDO1AGXTALDH1A1
SCHEMBL24105651 0.80 TRPA1 (0.41) TSHRNPC1RAB9AIDO1TAAR1
SCHEMBL22731047 0.80 NPC1 (0.43) TSHRNPC1RAB9AIDO1TAAR1
SCHEMBL28411649 0.80 TRPA1 (0.44) TSHRNPC1RAB9ATAAR1SIGMAR1
SCHEMBL28411652 0.80 TRPA1 (0.44) TSHRNPC1RAB9ATAAR1SIGMAR1
SCHEMBL7620964 0.79 TSHR (0.43) TSHRNPC1RAB9AIDO1SIGMAR1
SCHEMBL9681267 0.79 CA1 (0.61) NPC1RAB9AIDO1TAAR1AGXT
SCHEMBL10659989 0.79 CA1 (0.53) TSHRNPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122029177-A Oligonucleotides containing multiple ligands and/or lipids 阿达尔克斯制药有限公司 2026-05-12 CN disclosed
CN-122028913-A Oligonucleotides containing ligands in nucleobases, 2 'or 3' positions 阿达尔克斯制药有限公司 2026-05-12 CN disclosed
CN-112390755-B Heteroaryl method for amine 中国科学院理化技术研究所 2024-08-02 CN disclosed
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
WO-2024059041-A1 BENZO-FUSED N-HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES, INC. (US) 2024-03-21 WO disclosed
US-11857519-B2 Compounds and methods for the targeted degradation of enhancer of zeste homolog 2 polypeptide ARVINAS OPERATIONS, INC. (US) 2024-01-02 US disclosed
US-11826350-B2 Proline-based neuropeptide FF receptor modulators RESEARCH TRIANGLE INSTITUTE (US) 2023-11-28 US disclosed
US-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS Epizyme, Inc. 2023-11-16 US disclosed
US-20230339866-A1 Quinazoline compounds and the use thereof in the treatment of cancer TroBio Therapeutics Pty Ltd (AU) 2023-10-26 US disclosed
US-20070203183-A1 Diaryl piperidines as CB1 modulators SCHERING CORPORATION 2007-08-30 US disclosed
US-20070203183-A1 Diaryl piperidines as CB1 modulators SCHERING CORPORATION 2007-08-30 US disclosed
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 US disclosed
US-7253165-B2 Benzisoxazolyl-, pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTICALS INC. (US) 2007-08-07 US disclosed
US-7253165-B2 Benzisoxazolyl-, pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTICALS INC. (US) 2007-08-07 US disclosed
US-7250413-B2 C-25 carbamate rifamycin derivatives with activity against drug-resistant microbes CUMBRE PHARMACEUTICALS INC. (US) 2007-07-31 US disclosed
US-20070142380-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7166600-B2 Thiocarbamate inhibitors of alpha-4 integrins GENENTECH, INC. (US) 2007-01-23 US 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 (8 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-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS EHMT2, BHMT, SHMT2 TSHR 2922/4885NPC1 1708/4885RAB9A 4230/4885
US-20070203183-A1 Diaryl piperidines as CB1 modulators CNR1, CNR2, GPR119 TSHR 1808/4885NPC1 237/4885RAB9A 1082/4885
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 TSHR 3456/4885NPC1 2447/4885RAB9A 3109/4885
US-20070197522-A1 Dpp-iv inhibitors DPP7, DPP4, DPP3 TSHR 241/4885NPC1 1185/4885RAB9A 3070/4885
US-11826350-B2 Proline-based neuropeptide FF receptor modulators NPFFR1, NPFFR2, NPBWR1 TSHR 126/4885NPC1 681/4885RAB9A 3719/4885
US-20070142380-A1 Viral Polymerase Inhibitors POLM, POLR2H, POLR2A TSHR 3904/4885NPC1 1500/4885RAB9A 1472/4885
US-11857519-B2 Compounds and methods for the targeted degradation of enhancer of zeste homolog 2 polypeptide CRBN, MDM2, VHL TSHR 3794/4885NPC1 2016/4885RAB9A 3643/4885
US-20230339866-A1 Quinazoline compounds and the use thereof in the treatment of cancer NQO2, TP53, ABL1 TSHR 4512/4885NPC1 2661/4885RAB9A 489/4885

“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.