SCHEMBL10125909

SCHEMBL10125909

O=C(O)N1CCC(NCCc2ccc(Br)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.52
TAAR1 Q96RJ0 1/20 0.49
SIGMAR1 Q99720 1/20 0.44
HTT P42858 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GRIN2B Q13224 1/20 0.42
EPHX2 P34913 1/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
BACE1 P56817 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
SCHEMBL29101911 0.86 TAAR1 (0.44) DRD4TAAR1SIGMAR1SMN1; SMN2GRIN2B
SCHEMBL10108244 0.85 ALDH1A1 (0.49) DRD4TAAR1HTTALDH1A1SMN1; SMN2
SCHEMBL18129124 0.81 FPR2 (0.49) DRD4HTTALDH1A1KDM4E
SCHEMBL1239334 0.80 TAAR1 (0.53) TAAR1SIGMAR1ALDH1A1GRIN2B
SCHEMBL19994655 0.78 FAAH (0.45) HTTALDH1A1SMN1; SMN2GRIN2B
SCHEMBL2553251 0.77 TAAR1 (0.57) TAAR1SMN1; SMN2GRIN2BKDM4ETDP1
SCHEMBL9471338 0.76 DRD4 (0.62) DRD4TAAR1HTTALDH1A1GRIN2B
SCHEMBL28206562 0.75 CCR5 (0.49) HTTALDH1A1SMN1; SMN2EPHX2
SCHEMBL17748901 0.75 CCR3 (0.53)
SCHEMBL17506476 0.75 DRD4 (0.42) DRD4TAAR1SIGMAR1ALDH1A1KDM4E

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
EP-3082805-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME The Institute For Drug Delivery (US) 2016-10-26 EP disclosed
WO-2015095701-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME THE INSTITUTE FOR DRUG DELIVERY (US) 2015-06-25 WO disclosed
US-8110574-B2 Derivatives of 4-aminopiperidine and their use as a medicament IPSEN PHARMA S.A.S. (FR) 2012-02-07 US disclosed
US-20110312963-A1 P38 MAP KINASE INHIBITORS RESPIVERT LTD (GB) 2011-12-22 US disclosed
US-20110059971-A1 DERIVATIVES OF 4-AMINOPIPERIDINE AND THEIR USE AS A MEDICAMENT IPSEN S.A.S. (FR) 2011-03-10 US disclosed
US-7858789-B2 Derivatives of 4-aminopiperidine and their use as a medicament IPSEN PHARMA S.A.S. (FR) 2010-12-28 US disclosed
US-20090149652-A1 Derivatives of 4-aminopiperidine and their use as a medicament SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES 2009-06-11 US disclosed
EP-1286966-B1 4-AMINOPIPERIDINE DERIVATIVES AND THEIR USE AS MEDICINE SOD CONSEILS RECH APPLIC (FR) 2008-07-16 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 (3 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-20090149652-A1 Derivatives of 4-aminopiperidine and their use as a medicament SSTR4, SSTR3, SSTR1 DRD4 82/4885TAAR1 32/4885SIGMAR1 136/4885
US-20110312963-A1 P38 MAP KINASE INHIBITORS MAPKAPK2, MAPK1, MAPKAPK3 DRD4 4829/4885TAAR1 2971/4885SIGMAR1 1388/4885
US-20110059971-A1 DERIVATIVES OF 4-AMINOPIPERIDINE AND THEIR USE AS A MEDICAMENT SSTR4, SSTR3, SSTR1 DRD4 82/4885TAAR1 32/4885SIGMAR1 136/4885

“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.