SCHEMBL5514752

SCHEMBL5514752

N#CCCC1c2cc(F)ccc2CCc2ccc(F)cc21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
MPO P05164 1/20 0.33
SLC6A4 P31645 1/20 0.33
SRD5A1 P18405 1/20 0.31
KDM1A O60341 3/20 0.31
KDM1B Q8NB78 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30

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
SCHEMBL5518279 0.83 HTR2A (0.41) HTR2AHTR2CSLC6A4KDM1AKDM1B
SCHEMBL14415683 0.78 HTR2A (0.44) HTR2AHTR2CSLC6A4KDM1AKDM1B
Hydrochloric Acid SCHEMBL5517302 0.77 HTR2A (0.43) HTR2AHTR2CSLC6A4KDM1AKDM1B
SCHEMBL14420427 0.74 HTR2A (0.40) HTR2AHTR2CSLC6A4KDM1AKDM1B
SCHEMBL5524678 0.74 HTR2A (0.45) HTR2AHTR2CSLC6A4SRD5A1KDM1A
SCHEMBL14415682 0.72 HTR2A (0.58) HTR2AHTR2CSLC6A4
SCHEMBL31028086 0.71 HTR2C (0.40) HTR2AHTR2CSLC6A4HTR1DHTR1B
Hydrochloric Acid SCHEMBL5518011 0.71 HTR2A (0.57) HTR2AHTR2CSLC6A4
SCHEMBL8249889 0.69 HTR2A (0.41) HTR2AHTR2CSLC6A4SRD5A1KDM1A
SCHEMBL14420428 0.69 HTR2A (0.43) HTR2AHTR2CSLC6A4HTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7268166-B2 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NPS PHARMACEUTICALS, INC. (US) 2007-09-11 US disclosed
US-7087765-B2 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NPS PHARMACEUTICALS, INC. (US) 2006-08-08 US disclosed
US-20060142594-A1 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases MUELLER ALAN L 2006-06-29 US disclosed
US-20040171670-A1 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NPS PHARMACEUTICALS, INC. 2004-09-02 US disclosed
US-6750244-B2 NERVOUS SYSTEM DISORDERS NPS PHARMACEUTICALS, INC. 2004-06-15 US disclosed
US-20020004522-A1 Nervous system disorders NPS PHARMACEUTICALS, INC. 2002-01-10 US disclosed
US-6211245-B1 DRUGS FOR CONTROLLING CALCIUM MODULATORS NPS PHARMACEUTICALS, INC. 2001-04-03 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 (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-20060142594-A1 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NCS1, ATP2A1, CACNA1D HTR2A 390/4885HTR2C 696/4885MPO 4628/4885
US-20040171670-A1 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NCS1, ATP2A1, CACNA1D HTR2A 390/4885HTR2C 696/4885MPO 4628/4885
US-20020004522-A1 Nervous system disorders HIF1A, PYGB, LDHB HTR2A 1439/4885HTR2C 1777/4885MPO 2255/4885

“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.