SCHEMBL3928306

SCHEMBL3928306

Fc1cc2cc(Br)ccc2o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.53
PIM1 P11309 1/20 0.52
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GPR35 Q9HC97 1/20 0.47
LMNA P02545 2/20 0.46
PKM P14618 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
MAOA P21397 1/20 0.46
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
ALDH1A1 P00352 3/20 0.45
ADRA2A P08913 2/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 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
SCHEMBL29608860 1.00 CYP2A6 (0.53) CYP2A6PIM1GRIN1GRIN2AGRIN2B
SCHEMBL6232284 0.83 PIM1 (0.82) PIM1GRIN1GRIN2AGRIN2BGRIN2C
SCHEMBL29883416 0.77 CYP2A6 (0.57) CYP2A6PIM1GRIN1GRIN2AGRIN2B
SCHEMBL14231754 0.77 NPC1 (0.61) CYP2A6PIM1GRIN1GRIN2AGRIN2B
SCHEMBL16426150 0.77 CYP2A6 (0.57) CYP2A6PIM1GRIN1GRIN2AGRIN2B
SCHEMBL23241640 0.74 ALDH1A1 (0.52) CYP2A6CA12CA1CA2CA9
SCHEMBL2092076 0.74 CYP2A6 (0.53) CYP2A6PIM1GRIN1GRIN2AGRIN2B
SCHEMBL7934096 0.74 CYP2A6 (0.53) CYP2A6PIM1GRIN1GRIN2AGRIN2B
SCHEMBL2297177 0.74 CYP2A6 (0.53) CYP2A6PIM1GRIN1GRIN2AGRIN2B
SCHEMBL26013329 0.74 FLT3 (0.55) LMNACA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4171563-B1 TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2025-08-06 EP disclosed
US-20250092019-A1 TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2025-03-20 US disclosed
EP-4228755-B1 TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2024-12-11 EP disclosed
US-20240352032-A1 TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2024-10-24 US disclosed
US-11884652-B2 Tetrazole derivatives as TRPA1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-01-30 US disclosed
EP-4228755-A1 TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2023-08-23 EP disclosed
US-20230257395-A1 TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-08-17 US disclosed
US-20230257395-A1 TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-08-17 US disclosed
US-20230257395-A1 TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-08-17 US disclosed
CN-116348471-A Tetrazole derivatives as TRPA1 inhibitors 勃林格殷格翰国际有限公司 2023-06-27 CN disclosed
US-8367673-B2 Substituted diketopiperazines as oxytocin antagonists GLAXO GROUP LIMITED (GB) 2013-02-05 US disclosed
US-20090186867-A1 Substituted Diketopiperazines As Oxytocin Antagonists GLAXO GROUP LIMITED 2009-07-23 US disclosed
US-7514437-B2 Substituted diketopiperazines as oxytocin antagonists SMITHKLINE BEECHAM CORP. (US) 2009-04-07 US disclosed
EP-1458393-B1 SUBSTITUTED DIKETOPIPERAZINES AS OXYTOCIN ANTAGONISTS GLAXO GROUP LTD (GB) 2008-06-25 EP disclosed
CN-100374115-C Substituted diketopiperazines as oxytocin antagonists GLAXO GROUP LTD (GB) 2008-03-12 CN disclosed
US-20050148572-A1 Substituted diketopiperazines as oxytocin antagonists GLAXO GROUP LIMITED (GB) 2005-07-07 US disclosed
CN-1606443-A Substituted diketopiperazines as oxytocin antagonists GLAXO GROUP LTD (GB) 2005-04-13 CN disclosed
WO-2005000311-A1 SUBSTITUTED DIKETOPIPERAZINES FOR THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA GLAXO GROUP LIMITED (GB) 2005-01-06 WO disclosed
EP-1458393-A1 SUBSTITUTED DIKETOPIPERAZINES AS OXYTOCIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-09-22 EP disclosed
WO-2003053443-A1 SUBSTITUTED DIKETOPIPERAZINES AS OXYTOCIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2003-07-03 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-20250092019-A1 TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS TRPA1, TRPV1, TRPV5 CYP2A6 3564/4885PIM1 4664/4885GRIN1 71/4885
US-11884652-B2 Tetrazole derivatives as TRPA1 inhibitors TRPA1, TRPV1, TRPV5 CYP2A6 3564/4885PIM1 4664/4885GRIN1 71/4885
US-20240352032-A1 TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS TRPA1, TRPV1, TRPV5 CYP2A6 3564/4885PIM1 4664/4885GRIN1 71/4885
US-20050148572-A1 Substituted diketopiperazines as oxytocin antagonists OXTR, AVPR2, AVPR1B CYP2A6 2600/4885PIM1 3318/4885GRIN1 613/4885
US-20230257395-A1 TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS TRPA1, TRPV1, TRPV5 CYP2A6 3564/4885PIM1 4664/4885GRIN1 71/4885
US-20090186867-A1 Substituted Diketopiperazines As Oxytocin Antagonists OXTR, AVPR2, CRH CYP2A6 3509/4885PIM1 3664/4885GRIN1 811/4885

“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.