SCHEMBL905993

SCHEMBL905993

Clc1ccc(-c2ccc3c(c2)C2CNCCC2N3)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR2C P28335 2/20 0.39
HTR2A P28223 3/20 0.35
KCNH2 Q12809 2/20 0.35
AHR P35869 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
JAK3 P52333 1/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 1/20 0.33
MARS1 P56192 1/20 0.33
HTR3A P46098 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
SCHEMBL12029844 1.00 MAPK1 (0.40) MAPK1KMT2AHTR2CHTR2AKCNH2
SCHEMBL6217518 1.00 MAPK1 (0.40) MAPK1KMT2AHTR2CHTR2AKCNH2
SCHEMBL15800591 0.90 SIRT2 (0.36) MAPK1KMT2AHTR2CAHRSIRT2
SCHEMBL6215612 0.86 MEN1 (0.39) KMT2AHTR2CHTR2AKCNH2JAK3
SCHEMBL7136394 0.86 SIRT2 (0.43) HTR2CHTR2AKCNH2SIRT2SIRT1
SCHEMBL8654057 0.86 SIRT2 (0.43) HTR2CHTR2AKCNH2SIRT2SIRT1
SCHEMBL7136400 0.86 SIRT2 (0.43) HTR2CHTR2AKCNH2SIRT2SIRT1
SCHEMBL4926099 0.80 MAPK1 (0.36) MAPK1KMT2AHTR2CHTR2AKCNH2
SCHEMBL6216628 0.80 MAPK1 (0.36) MAPK1KMT2AHTR2CHTR2AKCNH2
SCHEMBL6218592 0.78 SLC6A2 (0.39) MAPK1KMT2AHTR2CHTR2AKCNH2

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-1414819-B1 THERAPEUTIC 1H-PYRIDO[4,3-b]INDOLES PHARMACIA & UPJOHN CO LLC (US) 2005-10-12 EP claimed
US-6849640-B2 Therapeutic 1H-pyrido [4,3-b] indoles PHARMACIA & UPJOHN COMPANY (US) 2005-02-01 US claimed
US-20030060464-A1 Therapeutic 1H-pyrido [ 4, 3-b ] indoles PHARMACIA & UPJOHN COMPANY 2003-03-27 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
EP-1414819-B1 THERAPEUTIC 1H-PYRIDO[4,3-b]INDOLES PHARMACIA & UPJOHN CO LLC (US) 2005-10-12 EP disclosed
US-6849640-B2 Therapeutic 1H-pyrido [4,3-b] indoles PHARMACIA & UPJOHN COMPANY (US) 2005-02-01 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
US-20030060464-A1 Therapeutic 1H-pyrido [ 4, 3-b ] indoles PHARMACIA & UPJOHN COMPANY 2003-03-27 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 (4 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 MAPK1 3719/4885KMT2A 2378/4885HTR2C 1/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C MAPK1 3719/4885KMT2A 2378/4885HTR2C 1/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C MAPK1 3719/4885KMT2A 2378/4885HTR2C 1/4885
US-20030060464-A1 Therapeutic 1H-pyrido [ 4, 3-b ] indoles HTR3B, HTR4, HTR3C MAPK1 3730/4885KMT2A 4111/4885HTR2C 12/4885

“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.