SCHEMBL2866474

SCHEMBL2866474

Clc1ccc(N2CCNCC2)cc1OCCN1CCOCC1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.65
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HTR2C P28335 3/20 0.52
HTR2B P41595 1/20 0.52
NPC1 O15118 1/20 0.50
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49
SIGMAR1 Q99720 4/20 0.49
ADRB1 P08588 1/20 0.49
KMO O15229 2/20 0.48
KCNH2 Q12809 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
HTR2A P28223 1/20 0.46
TLR9 Q9NR96 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
P2RY12 Q9H244 1/20 0.45

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 SCHEMBL4926341 0.89 ALDH1A1 (0.55) TSHRALDH1A1KDM4EHTR2CHTR2B
SCHEMBL21659595 0.81 NPC1 (0.58) TSHRALDH1A1KDM4EHTR2BNPC1
SCHEMBL13162415 0.80 ADRB1 (0.56) HTR2CHTR2BSIGMAR1ADRB1HTT
SCHEMBL13162422 0.80 ADRB1 (0.56) HTR2CHTR2BSIGMAR1ADRB1HTT
Hydrochloric Acid SCHEMBL3465059 0.79 ADRB1 (0.55) HTR2CHTR2BSIGMAR1ADRB1HTT
Hydrochloric Acid SCHEMBL1638936 0.79 ADRB1 (0.55) HTR2CHTR2BSIGMAR1ADRB1MAPT
SCHEMBL3102728 0.78 CHRNB2 (0.51) TSHRHTR2BPDE3BPDE3ASIGMAR1
SCHEMBL18058380 0.77 TSHR (0.75) TSHRALDH1A1KDM4EHTR2CHTR2B
SCHEMBL14937929 0.77 TSHR (0.75) TSHRALDH1A1KDM4EHTR2CHTR2B
SCHEMBL13024353 0.77 TSHR (0.75) TSHRALDH1A1KDM4EHTR2CHTR2B

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-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 US disclosed
US-7842693-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2010-11-30 US disclosed
US-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 US disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
EP-1691810-A4 SUBSTITUTED PIPERAZINES CHEMOCENTRYX INC (US) 2009-07-01 EP disclosed
EP-1691810-A1 SUBSTITUTED PIPERAZINES ChemoCentryx Inc (US) 2006-08-23 EP disclosed
US-20060106218-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2006-05-18 US disclosed
US-20050256130-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2005-11-17 US disclosed
WO-2005056015-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2005-06-23 WO disclosed
US-20040162282-A1 Substituted piperazines CHEMOCENTRYX, INC. 2004-08-19 US 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 (4 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-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 TSHR 2545/4885ALDH1A1 951/4885KDM4E 3949/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 TSHR 2545/4885ALDH1A1 951/4885KDM4E 3949/4885
US-20040162282-A1 Substituted piperazines CCR1, CCR3, CCRL2 TSHR 2351/4885ALDH1A1 788/4885KDM4E 3526/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 TSHR 2545/4885ALDH1A1 951/4885KDM4E 3949/4885

“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.