SCHEMBL4814092

SCHEMBL4814092

COC1(c2cccc(C(F)(F)F)c2)CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.49
SLC6A4 P31645 4/20 0.47
SLC6A3 Q01959 2/20 0.47
KDM1A O60341 2/20 0.44
SLC6A2 P23975 1/20 0.44
HTR2C P28335 3/20 0.43
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
CCR2 P41597 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
KCNN4 O15554 1/20 0.40

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
Hydrochloric Acid SCHEMBL3246216 0.99 TACR1 (0.48) TACR1SLC6A4SLC6A3KDM1ASLC6A2
SCHEMBL28032116 0.86 SLC6A4 (0.54) SLC6A4SLC6A3KDM1ASLC6A2CCR2
Hydrochloric Acid SCHEMBL27626949 0.81 CCR2 (0.46) TACR1SLC6A4SLC6A3KDM1ASLC6A2
SCHEMBL11802250 0.81 ALOX5 (0.49) SLC6A4SLC6A3KDM1ASLC6A2ALDH1A1
SCHEMBL8886072 0.80 CCR2 (0.45) TACR1SLC6A4SLC6A3KDM1ASLC6A2
SCHEMBL5728531 0.80 TACR1 (0.49) TACR1SLC6A4SLC6A3KDM1ASLC6A2
SCHEMBL11796828 0.80 OPRL1 (0.46) SLC6A4SLC6A3KDM1ASLC6A2ALDH1A1
SCHEMBL11796824 0.80 OPRL1 (0.46) SLC6A4SLC6A3KDM1ASLC6A2ALDH1A1
SCHEMBL11803900 0.80 OPRL1 (0.46) SLC6A4SLC6A3KDM1ASLC6A2ALDH1A1
SCHEMBL27607907 0.79 TACR1 (0.45) TACR1SLC6A4SLC6A3SLC6A2CCR2

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-7468368-B2 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI AVENTIS (FR) 2008-12-23 US disclosed
US-7294628-B2 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2007-11-13 US disclosed
EP-1513835-B1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2006-08-16 EP disclosed
US-20060167007-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2006-07-27 US disclosed
EP-1513836-B1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2006-05-03 EP disclosed
US-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2005-08-11 US disclosed
EP-1513835-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-03-16 EP disclosed
EP-1513836-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-03-16 EP disclosed
WO-2003104225-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2003-12-18 WO disclosed
WO-2003104226-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2003-12-18 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 (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-20060167007-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof NR5A2, NR3C2, NR3C1 TACR1 96/4885SLC6A4 2182/4885SLC6A3 1275/4885
US-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof NR5A2, NR3C1, CBR1 TACR1 104/4885SLC6A4 2212/4885SLC6A3 1373/4885

“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.