SCHEMBL905980

SCHEMBL905980

C[C@H](N)Cn1c2c(c3c(Cl)cccc31)CCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.41
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
GRIN1 Q05586 3/20 0.37
GRIN2A Q12879 3/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
KDM4E B2RXH2 2/20 0.36
RAB9A P51151 1/20 0.36
HTR6 P50406 1/20 0.36
BCHE P06276 3/20 0.35
ACHE P22303 2/20 0.35
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
SLC2A1 P11166 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL905955 0.80 HTR2A (0.46) BACE1CA1CA2ALDH1A1MAPK1
SCHEMBL7471371 0.80 HTR2A (0.46) BACE1CA1CA2ALDH1A1MAPK1
Ammonia Solution, Strong SCHEMBL905982 0.78 RAB9A (0.45) CA1CA2ALDH1A1HTR2AHTR2C
SCHEMBL905718 0.78 CA1 (0.60) BACE1CA1CA2ALDH1A1MAPK1
SCHEMBL906063 0.78 CA1 (0.60) BACE1CA1CA2ALDH1A1MAPK1
SCHEMBL6625700 0.77 MAPT (0.41) CA1CA2MAPK1RAB9ALMNA
SCHEMBL905938 0.76 HTR2C (0.36) BACE1ALDH1A1MAPK1HTR2AHTR2C
SCHEMBL905981 0.74 GRIN1 (0.35) CA1CA2GRIN1GRIN2AHTR6
SCHEMBL905920 0.73 HTR2C (0.34) BACE1ALDH1A1MAPK1HTR2AHTR2C
Fumaric Acid SCHEMBL6626918 0.69 NPSR1 (0.38) BACE1ALDH1A1HTR2AHTR2CKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202965-B1 INDOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR MEDICINAL APPLICATION VERNALIS RES LTD (GB) 2004-10-13 EP claimed
US-6706750-B1 USEFUL IN TREATING OBESITY AND OTHER DISORDERS VERNALIS RESEARCH LIMITED (GB) 2004-03-16 US 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-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-1202965-B1 INDOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR MEDICINAL APPLICATION VERNALIS RES LTD (GB) 2004-10-13 EP disclosed
US-6706750-B1 USEFUL IN TREATING OBESITY AND OTHER DISORDERS VERNALIS RESEARCH LIMITED (GB) 2004-03-16 US disclosed
EP-1202965-A1 INDOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR MEDICINAL APPLICATION VERNALIS RESEARCH LIMITED (GB) 2002-05-08 EP disclosed
WO-2001012603-A1 INDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR MEDICINAL APPLICATION VERNALIS RESEARCH LIMITED (GB) 2001-02-22 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 BACE1 2759/4885CA1 4167/4885CA2 2598/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C BACE1 2759/4885CA1 4167/4885CA2 2598/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C BACE1 2759/4885CA1 4167/4885CA2 2598/4885

“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.