SCHEMBL5237164

SCHEMBL5237164

OC1(CCc2ccc(F)cc2)CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.39
OPRL1 P41146 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
CYP2C19 P33261 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
SLC6A2 P23975 3/20 0.37
GPR4 P46093 1/20 0.37
KCNH2 Q12809 1/20 0.37
AOC2 O75106 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
AOC3 Q16853 1/20 0.37
HTR2A P28223 1/20 0.36
HTR1A P08908 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL7498985 0.90 GPR4 (0.45) OPRM1OPRL1ALDH1A1CYP3A4MAPT
Hydrochloric Acid SCHEMBL7983376 0.89 GPR4 (0.44) OPRM1OPRL1ALDH1A1CYP3A4MAPT
SCHEMBL5672427 0.82 OPRM1 (0.55) OPRM1OPRL1ALDH1A1CYP2C9CYP2C19
SCHEMBL1574254 0.82 SLC6A2 (0.41) ALDH1A1SLC6A2KCNH2SLC6A4SLC6A3
SCHEMBL5495685 0.82 DPP4 (0.39) OPRM1OPRL1ALDH1A1GPR4KCNH2
Hydrochloric Acid SCHEMBL7964557 0.81 SLC6A2 (0.40) OPRL1SLC6A2KCNH2SLC6A4SLC6A3
SCHEMBL8111562 0.81 TAAR1 (0.39) ALDH1A1CYP3A4MAPTCYP2C9PKM
Bromide SCHEMBL5807574 0.79 SLC6A2 (0.39) SLC6A2KCNH2SLC6A4SLC6A3
Bromide SCHEMBL5807570 0.79 SLC6A2 (0.39) SLC6A2KCNH2SLC6A4SLC6A3
SCHEMBL4239004 0.79 RARB (0.41) OPRM1OPRL1ALDH1A1MAPTMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254877-A1 Indole Derivative and Use for Treatment of Cancer TAKADA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-11-01 US disclosed
US-20070254877-A1 Indole Derivative and Use for Treatment of Cancer TAKADA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-11-01 US disclosed
US-20070254877-A1 Indole Derivative and Use for Treatment of Cancer TAKADA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-11-01 US disclosed
EP-1761539-A1 INDOLE DERIVATIVE AND USE FOR TREATMENT OF CANCER Takeda Pharmaceutical Company Limited (JP) 2007-03-14 EP disclosed
WO-2005118587-A1 INDOLE DERIVATIVE AND USE FOR TREATMENT OF CANCER TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-15 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 (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-20070254877-A1 Indole Derivative and Use for Treatment of Cancer IGF1R, KDR, ERBB2 OPRM1 645/4885OPRL1 718/4885ALDH1A1 1181/4885

“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.