SCHEMBL21045972

SCHEMBL21045972

Nc1ccc(C2CCNCC2)nn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.47
SLC18A3 Q16572 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
MKNK1 Q9BUB5 2/20 0.40
MKNK2 Q9HBH9 2/20 0.40
HRH3 Q9Y5N1 1/20 0.39
HTR2C P28335 5/20 0.38
QDPR P09417 1/20 0.38
TRPC6 Q9Y210 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
USP7 Q93009 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTR3A P46098 1/20 0.35

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
Hydrochloric Acid SCHEMBL21045841 0.98 HRH4 (0.46) HRH4SLC18A3SIGMAR1MKNK1MKNK2
SCHEMBL15353084 0.86 TRPC6 (0.41) TRPC6
SCHEMBL30621938 0.86 TRPC6 (0.41) TRPC6
Trifluoroacetic Acid SCHEMBL21274845 0.85 TRPC6 (0.40) HRH4SLC18A3SIGMAR1HRH3HTR2C
Tert-Butyl Formate SCHEMBL28812529 0.83 TRPC6 (0.41) HRH4TRPC6TDP1
SCHEMBL29817980 0.82 BACE1 (0.43) HRH4TRPC6PKM
SCHEMBL29818263 0.80 BACE1 (0.46) HRH4TRPC6KMT2APKMTDP1
SCHEMBL21274604 0.77 TRPC6 (0.32) TRPC6
SCHEMBL14763995 0.77 TRPC6 (0.37) TRPC6
SCHEMBL31639401 0.77 USP7 (0.43) HRH4SLC18A3SIGMAR1MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3752499-B1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INT (DE) 2024-03-27 EP disclosed
CN-111868055-B Inhibitors of TRPC6 勃林格殷格翰国际有限公司 2024-03-08 CN disclosed
CN-111770918-B Inhibitors of TRPC6 勃林格殷格翰国际公司 2024-02-27 CN disclosed
US-20230357265-A1 CDK Inhibitors And Their Use As Pharmaceuticals PRELUDE THERAPEUTICS, INCORPORATED 2023-11-09 US disclosed
US-20230357265-A1 CDK Inhibitors And Their Use As Pharmaceuticals PRELUDE THERAPEUTICS, INCORPORATED 2023-11-09 US disclosed
US-20230357265-A1 CDK Inhibitors And Their Use As Pharmaceuticals PRELUDE THERAPEUTICS, INCORPORATED 2023-11-09 US disclosed
US-RE49699-E1 Inhibitors of TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-10-17 US disclosed
US-RE49699-E1 Inhibitors of TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-10-17 US disclosed
US-RE49699-E1 Inhibitors of TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-10-17 US disclosed
CN-116583283-A CDK inhibitors and their use as pharmaceuticals 普莱鲁德疗法有限公司 2023-08-11 CN disclosed
CN-111770918-A Inhibitors of TRPC6 勃林格殷格翰国际公司 2020-10-13 CN disclosed
EP-3700902-A1 PYRIDINE CARBONYL DERIVATIVES AND THERAPEUTIC USES THEREOF AS TRPC6 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2020-09-02 EP disclosed
CN-111527078-A Pyridinecarbonyl derivatives and their therapeutic use as TRPC6 inhibitors 勃林格殷格翰国际公司 2020-08-11 CN disclosed
WO-2019161010-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-08-22 WO disclosed
WO-2019158572-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-08-22 WO disclosed
WO-2019158572-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-08-22 WO disclosed
US-20190169168-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-06-06 US disclosed
US-20190169168-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-06-06 US disclosed
US-20190169167-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2019-06-06 US disclosed
US-20190169167-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2019-06-06 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 (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-20190169168-A1 INHIBITORS OF TRPC6 TRPC6, TRPC1, TRPC7 HRH4 540/4885SLC18A3 917/4885SIGMAR1 1825/4885
US-20190169167-A1 INHIBITORS OF TRPC6 TRPC6, TRPC1, TRPC7 HRH4 540/4885SLC18A3 917/4885SIGMAR1 1825/4885
US-20230357265-A1 CDK Inhibitors And Their Use As Pharmaceuticals CDK6, CDK1, CDK3 HRH4 3877/4885SLC18A3 4761/4885SIGMAR1 3622/4885

“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.