SCHEMBL1705960

SCHEMBL1705960

O=CCCCc1cccc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.53
SLC6A3 Q01959 2/20 0.50
DRD2 P14416 1/20 0.50
SLC6A4 P31645 1/20 0.50
DAO P14920 2/20 0.44
IDO1 P14902 1/20 0.43
AGXT P21549 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
HTR2B P41595 1/20 0.43

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
SCHEMBL66271 0.89 TAAR1 (0.57) TAAR1SLC6A3DRD2SLC6A4DAO
SCHEMBL27745167 0.81 TAAR1 (0.53) TAAR1SLC6A3DRD2SLC6A4DAO
SCHEMBL11516858 0.81 TAAR1 (0.53) TAAR1SLC6A3DRD2SLC6A4DAO
SCHEMBL29018933 0.81 TAAR1 (0.53) TAAR1SLC6A3DRD2SLC6A4IDO1
SCHEMBL30462204 0.81 TAAR1 (0.53) TAAR1SLC6A3DRD2SLC6A4IDO1
SCHEMBL1047725 0.79 TAAR1 (0.59) TAAR1SLC6A3DRD2SLC6A4DAO
SCHEMBL167999 0.78 TAAR1 (0.52) TAAR1SLC6A3DAOIDO1AGXT
SCHEMBL9714684 0.78 DRD2 (0.53) TAAR1DRD2
SCHEMBL6083781 0.78 TAAR1 (0.53) TAAR1DAOIDO1MAOAMAOB
SCHEMBL22320003 0.78 TSHR (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088837-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC 2012-04-12 US disclosed
US-7981923-B2 Tetralin and indane derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2011-07-19 US disclosed
US-20100130742-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF HARRIS III RALPH NEW 2010-05-27 US disclosed
US-7576103-B2 Tetralin and indane derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2009-08-18 US disclosed
US-7473690-B2 Tetralin and indane derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2009-01-06 US disclosed
EP-0194764-B1 PESTICIDAL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1989-07-12 EP disclosed
EP-0194764-A1 Pesticidal compounds THE WELLCOME FOUNDATION LIMITED (GB) 1986-09-17 EP disclosed
US-4415572-A CARDIOTONIC AND INOTROPIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-11-15 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-20100130742-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF INSRR, TTN, INSR TAAR1 105/4885SLC6A3 2816/4885DRD2 1179/4885
US-20120088837-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF INSRR, RIF1, TTR TAAR1 166/4885SLC6A3 3778/4885DRD2 2119/4885

“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.