SCHEMBL12986602

SCHEMBL12986602

COc1cccnc1N1CCCNCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.51
HTR3E A5X5Y0 1/20 0.51
HTR3B O95264 1/20 0.51
ADRB1 P08588 1/20 0.51
DRD2 P14416 1/20 0.51
CYP2C19 P33261 1/20 0.51
DRD3 P35462 1/20 0.51
HTR6 P50406 1/20 0.51
HTR3D Q70Z44 1/20 0.51
HTR3C Q8WXA8 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
HTR7 P34969 1/20 0.51
HTR2B P41595 1/20 0.51
CHRNB2 P17787 4/20 0.50
CHRNA4 P43681 4/20 0.50
EPHX2 P34913 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
SLC2A1 P11166 1/20 0.48
SLC2A2 P11168 1/20 0.48

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 SCHEMBL1063578 0.99 LMNA (0.52) HTR3AHTR3EHTR3BADRB1DRD2
SCHEMBL1026306 0.94 CYP2C19 (0.57) HTR3AHTR3EHTR3BADRB1DRD2
Hydrochloric Acid SCHEMBL30069211 0.93 LMNA (0.58) HTR3AHTR3EHTR3BADRB1DRD2
Hydrochloric Acid SCHEMBL30069213 0.93 LMNA (0.58) HTR3AHTR3EHTR3BADRB1DRD2
Hydrochloric Acid SCHEMBL26600676 0.93 LMNA (0.58) HTR3AHTR3EHTR3BADRB1DRD2
Hydrochloric Acid SCHEMBL1969103 0.93 LMNA (0.58) HTR3AHTR3EHTR3BADRB1DRD2
SCHEMBL29086088 0.86 SLC2A1 (0.52) DRD2CYP2C19DRD3HTR7MAPT
SCHEMBL30585959 0.86 SLC2A1 (0.52) DRD2CYP2C19DRD3HTR7MAPT
SCHEMBL27815937 0.85 CYP1A2 (0.51) DRD2CYP2C19DRD3HTR7LMNA
SCHEMBL14818765 0.81 EPHX2 (0.54) ADRB1CHRNB2CHRNA4EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349273-B1 MODULATORS OF CXCR7 CHEMOCENTRYX INC (US) 2015-04-08 EP disclosed
US-8853202-B2 Modulators of CXCR7 CHEMOCENTRYX, INC. (US) 2014-10-07 US disclosed
US-8288373-B2 Modulators of CXCR7 CHEMOCENTRYX, INC. (US) 2012-10-16 US disclosed
US-20100311712-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2010-12-09 US disclosed
US-20100150831-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2010-06-17 US disclosed
WO-2010054006-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2010-05-14 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-20100311712-A1 MODULATORS OF CXCR7 CXCR1, CXCR5, CCR7 HTR3A 862/4885HTR3E 836/4885HTR3B 524/4885
US-20100150831-A1 MODULATORS OF CXCR7 CXCR1, CXCR5, CCR7 HTR3A 862/4885HTR3E 836/4885HTR3B 524/4885

“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.