SCHEMBL5357641

SCHEMBL5357641

c1ccc(CC2CCN(CC3CCNCC3)CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.72
SIGMAR1 Q99720 7/20 0.66
CCR3 P51677 3/20 0.61
HTR1A P08908 3/20 0.59
CARM1 Q86X55 2/20 0.56
PRMT6 Q96LA8 2/20 0.56
PRMT3 O60678 1/20 0.56
PRMT1 Q99873 1/20 0.56
PRMT8 Q9NR22 1/20 0.56
ALDH1A1 P00352 1/20 0.54
GRIN2B Q13224 2/20 0.51

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
SCHEMBL4966754 0.85 GBA1 (0.50) GBA1SIGMAR1CCR3GRIN2B
SCHEMBL87612 0.85 GBA1 (1.00) GBA1SIGMAR1CCR3CARM1PRMT6
SCHEMBL30616164 0.84 SIGMAR1 (0.69) SIGMAR1CCR3HTR1ACARM1PRMT6
Bromide SCHEMBL10728442 0.83 GBA1 (0.96) GBA1SIGMAR1CCR3CARM1PRMT6
Hydrochloric Acid SCHEMBL4935892 0.83 GBA1 (0.96) GBA1CCR3CARM1PRMT6PRMT3
SCHEMBL23270011 0.81 SIGMAR1 (0.72) SIGMAR1CCR3HTR1AALDH1A1
Formaldehyde SCHEMBL28466516 0.80 GBA1 (0.89) GBA1CCR3CARM1PRMT6PRMT3
SCHEMBL8481226 0.79 GBA1 (0.68) GBA1SIGMAR1CCR3CARM1PRMT6
SCHEMBL4969534 0.79 PRMT5 (0.52) GBA1SIGMAR1CCR3ALDH1A1
SCHEMBL5366470 0.79 TACR3 (0.71) SIGMAR1CCR3ALDH1A1GRIN2B

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
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 GBA1 2463/4885SIGMAR1 930/4885CCR3 1/4885
US-20020119980-A1 Heterocyclic piperidines as modulators of chemokine receptor activity CCR3, CCR1, CCR4 GBA1 2463/4885SIGMAR1 930/4885CCR3 1/4885
US-20070299057-A9 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR3, CCR1, CCR4 GBA1 2614/4885SIGMAR1 1173/4885CCR3 1/4885

“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.