SCHEMBL5366470

SCHEMBL5366470

O=C(Cc1ccccc1)N1CCC(CN2CCC(Cc3ccccc3)CC2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.71
ALDH1A1 P00352 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
KDM4E B2RXH2 1/20 0.60
HTT P42858 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.59
SIGMAR1 Q99720 1/20 0.58
TP53 P04637 1/20 0.57
HSD17B10 Q99714 1/20 0.57
ROCK1 Q13464 1/20 0.56
GRIN2D O15399 1/20 0.56
GRIN3B O60391 1/20 0.56
ADRA1D P25100 1/20 0.56
ADRA1A P35348 1/20 0.56
ADRA1B P35368 1/20 0.56
GRIN1 Q05586 1/20 0.56
GRIN2A Q12879 1/20 0.56
GRIN2B Q13224 1/20 0.56
GRIN2C Q14957 1/20 0.56

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
SCHEMBL23682656 0.92 TACR3 (0.83) TACR3ALDH1A1MEN1KMT2AKDM4E
SCHEMBL5359069 0.90 CCR3 (0.62) TACR3ALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL5358802 0.85 CCR3 (0.71) MEN1KMT2ASIGMAR1CCR3
SCHEMBL5366293 0.84 HTT (0.67) MEN1KMT2AHTTSIGMAR1RAB9A
SCHEMBL24008551 0.82 TACR3 (0.60) TACR3ALDH1A1MEN1KMT2AKDM4E
SCHEMBL30323013 0.82 TACR3 (0.60) TACR3ALDH1A1MEN1KMT2AKDM4E
SCHEMBL5358819 0.81 FAAH (0.85) MEN1KMT2ATP53GRIN2DGRIN3B
SCHEMBL7362106 0.79 ALDH1A1 (0.64) TACR3ALDH1A1MEN1KMT2ARAB9A
SCHEMBL2243090 0.79 ALDH1A1 (0.64) TACR3ALDH1A1MEN1KMT2ARAB9A
SCHEMBL8904897 0.79 ALDH1A1 (0.64) TACR3ALDH1A1MEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070299057-A9 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY KO SOO S 2007-12-27 US claimed
US-7312222-B2 Heterocyclic piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-12-25 US claimed
US-20040186097-A1 Heterocyclic piperidines as modulators of chemokine receptor activity KO SOO S (US) 2004-09-23 US claimed
US-20020119980-A1 Heterocyclic piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-08-29 US claimed
EP-1140834-A1 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Du Pont Pharmaceuticals Company (US) 2001-10-10 EP claimed
WO-2000035877-A1 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 WO claimed
US-20070299057-A9 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY KO SOO S 2007-12-27 US disclosed
US-7312222-B2 Heterocyclic piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-12-25 US disclosed
US-20040186097-A1 Heterocyclic piperidines as modulators of chemokine receptor activity KO SOO S (US) 2004-09-23 US disclosed
US-6759411-B2 ANTIHISTAMINES, ANTIALLERGENS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-07-06 US disclosed
US-20020119980-A1 Heterocyclic piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-08-29 US disclosed
US-6331545-B1 TREATING ASTHMA, ALLERGIC RHINITIS, ATOPIC DERMATITIS, AND INFLAMMATORY BOWEL DISEASES BRISTOL-MYERS SQUIBB PHARMA COMPANY 2001-12-18 US disclosed
EP-1140834-A1 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Du Pont Pharmaceuticals Company (US) 2001-10-10 EP disclosed
WO-2000035877-A1 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 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 (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-20040186097-A1 Heterocyclic piperidines as modulators of chemokine receptor activity CCR3, CCR1, CCR4 TACR3 362/4885ALDH1A1 675/4885MEN1 4637/4885
US-20020119980-A1 Heterocyclic piperidines as modulators of chemokine receptor activity CCR3, CCR1, CCR4 TACR3 362/4885ALDH1A1 675/4885MEN1 4637/4885
US-20070299057-A9 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR3, CCR1, CCR4 TACR3 323/4885ALDH1A1 931/4885MEN1 4702/4885

“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.