SCHEMBL3636993

SCHEMBL3636993

N#CCc1ccccc1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.50
CALM1 P0DP23 1/20 0.46
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
BCL2 P10415 1/20 0.43
BCL2L1 Q07817 1/20 0.43
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
ALOX5 P09917 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ATP4A P20648 1/20 0.38
ATP4B P51164 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL31596156 1.00 HTR2A (0.50) HTR2ACALM1ALDH1A1HPGDBCL2
SCHEMBL8763318 0.86 ALDH1A1 (0.50) HTR2AALDH1A1HPGDCYP1A1CYP1A2
SCHEMBL10564000 0.84 ALDH1A1 (0.46) HTR2AALDH1A1HPGDFFAR1FFAR4
SCHEMBL10566854 0.84 KEAP1 (0.58) ALDH1A1HPGDBCL2BCL2L1CYP1A2
SCHEMBL10569734 0.84 ALDH1A1 (0.40) HTR2AALDH1A1HPGDCYP1A1CYP1A2
SCHEMBL9364439 0.84 SLC6A4 (0.41) HTR2AALDH1A1HPGDFFAR1FFAR4
SCHEMBL4863460 0.84 ALDH1A1 (0.41) HTR2AALDH1A1HPGDFFAR1FFAR4
SCHEMBL29809738 0.83 ALDH1A1 (0.56) ALDH1A1HPGDCYP1A1CYP1A2CYP1B1
SCHEMBL1945874 0.83 ALDH1A1 (0.56) ALDH1A1HPGDCYP1A1CYP1A2CYP1B1
SCHEMBL7852993 0.82 PAX8 (0.42) CALM1BCL2BCL2L1ALOX5MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311734-A1 Spiro Compounds Useful as Antagonists of the H1 Receptor GLAXO GROUP LIMITED 2010-12-09 US disclosed
US-20100311734-A1 Spiro Compounds Useful as Antagonists of the H1 Receptor GLAXO GROUP LIMITED 2010-12-09 US disclosed
US-20100311734-A1 Spiro Compounds Useful as Antagonists of the H1 Receptor GLAXO GROUP LIMITED 2010-12-09 US disclosed
EP-2170807-A1 SPIRO COMPOUNDS USEFUL AS ANTAGONISTS OF THE H1 RECEPTOR Glaxo Group Limited (GB) 2010-04-07 EP disclosed
WO-2009016085-A1 SPIRO COMPOUNDS USEFUL AS ANTAGONISTS OF THE H1 RECEPTOR GLAXO GROUP LIMITED (GB) 2009-02-05 WO disclosed
WO-2009016085-A1 SPIRO COMPOUNDS USEFUL AS ANTAGONISTS OF THE H1 RECEPTOR GLAXO GROUP LIMITED (GB) 2009-02-05 WO disclosed
US-6703420-B1 MITOGEN ACTIVATED PROTEIN KINASE (MAPK) INHIBITORS; ANTIINFLAMMATORY, ANTICARCINOGENIC, OR ANTIPROLIFERATIVE AGENTS; RADIOSENSITIZERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-09 US disclosed
US-4070387-A ANTIARRHYTHMIC AGENTS MERCK & CO., INC. (US) 1978-01-24 US disclosed
US-4020096-A ANTIARRYTHMIA MERCK & CO., INC. (US) 1977-04-26 US disclosed
US-3950423-A 10,11-Dihydro-10,10,11,11-tetrafluoro-5H-dibenzo[a,d]cycloheptene-5-methylamines MERCK & CO., INC. (US) 1976-04-13 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 (1 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-20100311734-A1 Spiro Compounds Useful as Antagonists of the H1 Receptor HCRTR1, HCRTR2, HRH3 HTR2A 137/4885CALM1 2548/4885ALDH1A1 508/4885

“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.