SCHEMBL905869

SCHEMBL905869

Fc1cccc(CNc2cncc(N3CCNCC3)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 4/20 0.50
HTR2C P28335 3/20 0.50
CCNT1 O60563 4/20 0.48
HTR2A P28223 2/20 0.47
HTR2B P41595 2/20 0.47
CHRM4 P08173 1/20 0.46
ADRB1 P08588 1/20 0.46
HTR1A P08908 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
FPR3 P25089 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
HTR1E P28566 1/20 0.46
GPR183 P32249 1/20 0.46
HTR7 P34969 1/20 0.46
HRH1 P35367 1/20 0.46
DRD3 P35462 1/20 0.46
HTR3A P46098 1/20 0.46

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 SCHEMBL6285450 0.99 CDK9 (0.49) CDK9HTR2CCCNT1HTR2AHTR2B
SCHEMBL906001 0.88 CDK9 (0.46) CDK9HTR2CCCNT1HTR2AHTR2B
SCHEMBL906005 0.86 HTR2C (0.63) HTR2CCCNT1HTR2AHTR2BCHRM4
SCHEMBL3267745 0.86 ACHE (0.58) CDK9HTR2CHTR2AHTR2BCHRM4
SCHEMBL1981974 0.84 CTSB (0.48) HTR2CHTR2AHTR2BCHRM4ADRB1
SCHEMBL906171 0.82 HTR2C (0.49) CDK9HTR2CCCNT1HTR2AHTR2B
SCHEMBL906003 0.82 DPP4 (0.48) CDK9HTR2CCCNT1HTR2AHTR2B
Hydrochloric Acid SCHEMBL6278793 0.81 DPP4 (0.47) CDK9HTR2CCCNT1HTR2AHTR2B
SCHEMBL906061 0.80 ACHE (0.43) HTR2CHTR2AHTR2BCHRM4ADRB1
SCHEMBL28617198 0.79 CCNT1 (0.56) CCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6894050-B2 5-HT receptor ligands and uses thereof PFIZER INC. (US) 2005-05-17 US claimed
EP-1401820-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2004-03-31 EP claimed
US-20030125334-A1 5-HT receptor ligands and uses thereof CHIANG PHOEBE (US) 2003-07-03 US claimed
WO-2003000666-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2003-01-03 WO claimed
US-20110152272-A1 Treatment Of Incontinence PFIZER INC 2011-06-23 US disclosed
EP-2277513-A2 Treatment of incontinence with 5htc2 agonists Pfizer Inc. (US) 2011-01-26 EP disclosed
US-20080146583-A1 Treatment of Incontinence PFIZER INC 2008-06-19 US disclosed
EP-1620081-A2 TREATMENT OF INCONTINENCE WITH 5HTC2 AGONISTS Pfizer Limited (GB) 2006-02-01 EP disclosed
US-6894050-B2 5-HT receptor ligands and uses thereof PFIZER INC. (US) 2005-05-17 US disclosed
US-20050090503-A1 5-HT receptor ligands and uses thereof PFIZER INC 2005-04-28 US disclosed
US-20050020604-A1 5-HT receptor ligands and uses thereof PFIZER INC 2005-01-27 US disclosed
US-20040235856-A1 Treatment of incontinence PFIZER INC 2004-11-25 US disclosed
WO-2004096196-A2 TREATMENT OF INCONTINENCE WITH 5HTC2 AGONISTS PFIZER LIMITED (GB) 2004-11-11 WO disclosed
EP-1401820-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2004-03-31 EP disclosed
US-20030125334-A1 5-HT receptor ligands and uses thereof CHIANG PHOEBE (US) 2003-07-03 US disclosed
WO-2003000666-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2003-01-03 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 (6 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-20040235856-A1 Treatment of incontinence HTR2C, HTR5A, ADRA2C CDK9 3849/4885HTR2C 1/4885CCNT1 2839/4885
US-20050090503-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A CDK9 4130/4885HTR2C 4/4885CCNT1 4270/4885
US-20050020604-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A CDK9 4130/4885HTR2C 4/4885CCNT1 4270/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C CDK9 3849/4885HTR2C 1/4885CCNT1 2839/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C CDK9 3849/4885HTR2C 1/4885CCNT1 2839/4885
US-20030125334-A1 5-HT receptor ligands and uses thereof HTR1A, HTR2A, HTR5A CDK9 4086/4885HTR2C 4/4885CCNT1 4088/4885

“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.