SCHEMBL905784

SCHEMBL905784

CCC1(Cc2ccc(OC(F)F)cc2)CNCCN1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALKBH1 Q13686 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALOX15 P16050 1/20 0.34
GFER P55789 1/20 0.34
ADAM17 P78536 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
ACACB O00763 2/20 0.33
ATM Q13315 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL905785 1.00 ALDH1A1 (0.36) ALDH1A1HTTMEN1KMT2AALKBH1
Fumaric Acid SCHEMBL4681059 0.95 ALDH1A1 (0.39) ALDH1A1HTTMEN1KMT2AALKBH1
Fumaric Acid SCHEMBL4681056 0.95 ALDH1A1 (0.39) ALDH1A1HTTMEN1KMT2AALKBH1
Hydrochloric Acid SCHEMBL20168209 0.81 KMT2A (0.40) KMT2A
SCHEMBL4677109 0.75 F2RL1 (0.37) ALDH1A1LMNA
SCHEMBL4677326 0.75 F2RL1 (0.37) ALDH1A1LMNA
SCHEMBL28895612 0.73
SCHEMBL27573516 0.69 L3MBTL1 (0.43) ALDH1A1MEN1KMT2ACYP2C19LMNA
SCHEMBL19692736 0.68 KMT2A (0.38) ALDH1A1KMT2A
SCHEMBL28533587 0.68 KMT2A (0.35) ALDH1A1MEN1KMT2ACYP2C19

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
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-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

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-20040235856-A1 Treatment of incontinence HTR2C, HTR5A, ADRA2C ALDH1A1 527/4885HTT 1813/4885MEN1 4045/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C ALDH1A1 527/4885HTT 1813/4885MEN1 4045/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C ALDH1A1 527/4885HTT 1813/4885MEN1 4045/4885

“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.