SCHEMBL608459

SCHEMBL608459

Cc1c(Br)cccc1CN

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.45
PNMT P11086 3/20 0.41
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
IDO1 P14902 2/20 0.39
ALDH1A1 P00352 1/20 0.37
DPP4 P27487 2/20 0.35
TSHR P16473 2/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
CYP3A4 P08684 1/20 0.33
PIK3CA P42336 1/20 0.33

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
SCHEMBL31142838 1.00 TAAR1 (0.45) TAAR1PNMTGABRA1GABRB2IDO1
Hydrochloric Acid SCHEMBL1364635 0.98 TAAR1 (0.43) TAAR1PNMTGABRA1GABRB2IDO1
SCHEMBL3397727 0.83 CD38 (0.43) ALDH1A1TSHR
SCHEMBL30481275 0.83 TAAR1 (0.63) TAAR1
SCHEMBL6910485 0.83 TAAR1 (0.63) TAAR1
SCHEMBL30267045 0.79 GABRA1 (0.41) TAAR1GABRA1GABRB2IDO1ALDH1A1
SCHEMBL7322742 0.79 GABRA1 (0.58) TAAR1GABRA1GABRB2IDO1ALDH1A1
SCHEMBL149686 0.79 GABRA1 (0.41) TAAR1GABRA1GABRB2IDO1ALDH1A1
SCHEMBL6706730 0.79 TAAR1 (0.32) TAAR1PNMT
SCHEMBL21928918 0.77 GABRA1 (0.39) TAAR1GABRA1GABRB2IDO1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2012-02-16 US claimed
EP-1981831-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF Vaidya, Niteen A. (US) 2008-10-22 EP claimed
WO-2007092264-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2007-08-16 WO claimed
US-20070185346-A1 Kit for automated resolving agent selection and method thereof VAIDYA NITEEN A 2007-08-09 US claimed
US-12617789-B2 Small molecular inhibitors of NF-κb inducing kinase JANSSEN PHARMACEUTICA NV (BE) 2026-05-05 US disclosed
EP-4467199-A2 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE JANSSEN Pharmaceutica NV (BE) 2024-11-27 EP disclosed
EP-3976597-B1 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2024-08-28 EP disclosed
US-20240199605-A1 SMALL MOLECULAR INHIBITORS OF NF-kB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2024-06-20 US disclosed
US-11827634-B2 Small molecule inhibitors of NF-kB inducing kinase JANSSEN PHARMACEUTICA NV (BE) 2023-11-28 US disclosed
US-20230080834-A1 SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-03-16 US disclosed
WO-2023002011-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2023-01-26 WO disclosed
WO-2022271679-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2022-12-29 WO disclosed
US-20080318929-A1 Pyrimidine Derivatives Useful as Inhibitors of Pkc-Theta BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-25 US disclosed
US-20080318929-A1 Pyrimidine Derivatives Useful as Inhibitors of Pkc-Theta BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-25 US disclosed
EP-1981831-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF Vaidya, Niteen A. (US) 2008-10-22 EP disclosed
EP-1966163-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA Boehringer Ingelheim International GmbH (DE) 2008-09-10 EP disclosed
WO-2007092264-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2007-08-16 WO disclosed
US-20070185346-A1 Kit for automated resolving agent selection and method thereof VAIDYA NITEEN A 2007-08-09 US disclosed
WO-2007076247-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-05 WO disclosed
WO-2007076247-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-05 WO 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 (6 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-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF ACKR3, KIT, C3AR1 TAAR1 2357/4885PNMT 2745/4885GABRA1 4441/4885
US-20230080834-A1 SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE NFKBIA, IKBKB, NFRKB TAAR1 4840/4885PNMT 3798/4885GABRA1 3986/4885
US-11827634-B2 Small molecule inhibitors of NF-kB inducing kinase NFKBIA, IKBKB, NFRKB TAAR1 4840/4885PNMT 3798/4885GABRA1 3986/4885
US-20080318929-A1 Pyrimidine Derivatives Useful as Inhibitors of Pkc-Theta PRKCQ, PRKCZ, PRKAR2B TAAR1 2892/4885PNMT 1075/4885GABRA1 3341/4885
US-12617789-B2 Small molecular inhibitors of NF-κb inducing kinase IRAK3, IKBKB, IKBKG TAAR1 4597/4885PNMT 4625/4885GABRA1 4352/4885
US-20240199605-A1 SMALL MOLECULAR INHIBITORS OF NF-kB INDUCING KINASE NFKBIA, IKBKB, IKBKE TAAR1 4836/4885PNMT 4013/4885GABRA1 3878/4885

“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.