SCHEMBL9206509

SCHEMBL9206509

Cn1cc(CCBr)c2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.69
GPR84 Q9NQS5 1/20 0.67
KEAP1 Q14145 1/20 0.58
NFE2L2 Q16236 1/20 0.58
SLC6A4 P31645 1/20 0.52
CA2 P00918 1/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TP53 P04637 2/20 0.48
LMNA P02545 4/20 0.48
GLA P06280 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
AHR P35869 1/20 0.47
MITF O75030 1/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL7281434 0.88 HTR2A (0.63) HTR2AGPR84KEAP1NFE2L2SLC6A4
SCHEMBL10088110 0.85 GPR84 (0.71) HTR2AGPR84KEAP1NFE2L2SLC6A4
SCHEMBL7004405 0.85 HTR2A (0.73) HTR2AGPR84KEAP1NFE2L2SLC6A4
SCHEMBL9889542 0.83 HTR2A (0.71) HTR2AGPR84KEAP1NFE2L2SLC6A4
SCHEMBL11603000 0.81 HTR2A (0.69) HTR2AGPR84KEAP1NFE2L2SLC6A4
SCHEMBL11359977 0.81 HTR2A (0.69) HTR2AGPR84KEAP1NFE2L2SLC6A4
SCHEMBL5598636 0.81 HTR2A (0.69) HTR2AGPR84KEAP1NFE2L2SLC6A4
SCHEMBL7391194 0.81 HTR2A (0.69) HTR2AGPR84KEAP1NFE2L2SLC6A4
SCHEMBL18328036 0.81 HTR2A (0.69) HTR2AGPR84KEAP1NFE2L2SLC6A4
SCHEMBL5402680 0.81 HTR2A (0.69) HTR2AGPR84KEAP1NFE2L2SLC6A4

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11192907-B2 Aminopeptidase A inhibitors and pharmaceutical compositions comprising the same QUANTUM GENOMICS (FR) 2021-12-07 US disclosed
US-20210309678-A1 AMINOPEPTIDASE A INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Institut National de la Santé et de la Recherche Médicale (FR) 2021-10-07 US disclosed
CN-113166182-A Aminopeptidase A inhibitor and pharmaceutical composition comprising the same 量子基因公司 2021-07-23 CN disclosed
CN-103380130-A Novel pyrazole and imidazole derivatives useful as orexin antagonists ACTELION PHARMACEUTICALS LTD 2013-10-30 CN disclosed
EP-0345808-B1 1-Indolylalkyl-4-(substituted-pyridinyl)piperazines BRISTOL MYERS SQUIBB CO (US) 1995-01-11 EP disclosed
US-4954502-A Antidepressants BRISTOL-MYERS SQUIBB COMPANY (US) 1990-09-04 US disclosed
EP-0345808-A1 1-Indolylalkyl-4-(substituted-pyridinyl)piperazines Bristol-Myers Squibb Company (US) 1989-12-13 EP disclosed
EP-0061333-B1 9-(2-(3-INDOLYL)ETHYL)-1-OXA-4,9-DIAZASPIRO(5.5)UNDECAN-3-ONES SYNTEX (U.S.A.) INC. (US) 1986-01-02 EP disclosed
EP-0061333-A1 9-(2-(3-Indolyl)ethyl)-1-oxa-4,9-diazaspiro(5.5)undecan-3-ones SYNTEX (U.S.A.) INC. (US) 1982-09-29 EP disclosed
US-4332804-A TREATMENT OF HYPERTENSION, CONGESTIVE HEART FAILURE, ARRHYTHMIA, MIGRAINE, VASOSPASTIC DISORDERS AND ASTHMA SYNTEX (U.S.A.) INC. (US) 1982-06-01 US disclosed
US-4242347-A Hypotensive indolylalkylpiperidyl guanidines and isoureas CIBA-GEIGY CORPORATION (US) 1980-12-30 US disclosed
US-4147786-A HYPOTENSIVE CIBA-GEIGY CORPORATION (US) 1979-04-03 US disclosed
US-4073911-A ANTIHYPERTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1978-02-14 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 (2 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-11192907-B2 Aminopeptidase A inhibitors and pharmaceutical compositions comprising the same ANPEP, DNPEP, ENPEP HTR2A 3749/4885GPR84 1339/4885KEAP1 1303/4885
US-20210309678-A1 AMINOPEPTIDASE A INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME ANPEP, DNPEP, ENPEP HTR2A 3749/4885GPR84 1339/4885KEAP1 1303/4885

“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.