SCHEMBL5240381

SCHEMBL5240381

OC1(Cc2cccc(C(F)(F)F)c2)CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.52
HTR2C P28335 4/20 0.45
SLC6A4 P31645 3/20 0.45
HTR2B P41595 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SLC6A2 P23975 3/20 0.44
ACP3 P15309 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTR1D P28221 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
IDO1 P14902 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL26081038 0.81 TACR1 (0.47) TACR1HTR2CSLC6A4SLC6A2TSHR
SCHEMBL5238514 0.80 OPRK1 (0.41) HTR2CHTR2BSLC6A2TAAR1ALDH1A1
SCHEMBL22728327 0.79 TACR1 (0.49) TACR1HTR2CSLC6A4HTR2BSLC6A2
Hydrochloric Acid SCHEMBL29971403 0.79 OPRK1 (0.43) HTR2CHTR2BSLC6A2TAAR1ALDH1A1
Hydrochloric Acid SCHEMBL20137784 0.79 OPRK1 (0.43) HTR2CHTR2BSLC6A2TAAR1ALDH1A1
Hydrochloric Acid SCHEMBL29453795 0.78 TACR1 (0.48) TACR1HTR2CSLC6A4HTR2BSLC6A2
Hydrochloric Acid SCHEMBL22719232 0.78 TACR1 (0.48) TACR1HTR2CSLC6A4HTR2BSLC6A2
SCHEMBL4825172 0.77 SSTR4 (0.44) TACR1HTR2CSLC6A4HTR2BMEN1
SCHEMBL10634874 0.76 TACR1 (0.46) TACR1HTR2CSLC6A4HTR2BMEN1
Hydrochloric Acid SCHEMBL20137865 0.76 SSTR4 (0.43) TACR1HTR2CSLC6A4HTR2BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023102022-A1 4-PHENYL-2-(1H-1,2,3-TRIAZOL-4-YL)PIPERIDIN-4-OL DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-06-08 WO 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
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
US-6359138-B1 CENTRAL NERVOUS SYSTEM DISORDERS HOFFMANN-LA ROCHE INC. 2002-03-19 US disclosed
EP-0846683-B1 4-Hydroxy-piperidine derivatives HOFFMANN LA ROCHE (CH) 2001-09-19 EP disclosed
EP-0846683-A1 4-Hydroxy-piperidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 1998-06-10 EP 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 TACR1 730/4885HTR2C 345/4885SLC6A4 1124/4885

“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.