SCHEMBL12602249

SCHEMBL12602249

Cc1cccc2c1CC=C2CCN

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.42
TAAR1 Q96RJ0 4/20 0.40
HTR2A P28223 1/20 0.35
ACHE P22303 2/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PARP1 P09874 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP11 Q9NR21 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTR6 P50406 1/20 0.32
HTR1D P28221 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
HRH1 P35367 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
SCHEMBL20219237 0.77 ALDH1A1 (0.37) ACHESMN1; SMN2NPSR1PARP1PARP10
SCHEMBL12602251 0.76 LMNA (0.38) ACHEMAPTSMN1; SMN2PARP1PARP10
SCHEMBL12602254 0.75 ACHE (0.33) ACHEPARP1PARP10PARP11ALDH1A1
SCHEMBL21694427 0.71 ACHE (0.41) HTR2AACHEPARP1PARP10PARP11
SCHEMBL3862943 0.71 HTR6 (0.59) HTR7TAAR1HTR2AMAPTSMN1; SMN2
SCHEMBL31547775 0.71 HTR6 (0.59) HTR7TAAR1HTR2AMAPTSMN1; SMN2
SCHEMBL12602243 0.70 KMT2A (0.44) SMN1; SMN2ALDH1A1
SCHEMBL12602244 0.69 ALDH1A1 (0.43) MAPTALDH1A1
SCHEMBL6142234 0.66
SCHEMBL9502276 0.66 PIM1 (0.35) PARP10PARP11ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853406-B2 Substituted phenylenediamines as inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICA NV (BE) 2014-10-07 US disclosed
US-20110130418-A1 SUBSTITUTED PHENYLENEDIAMINES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN-CILAG (FR) 2011-06-02 US disclosed
US-7943634-B2 Substituted benzo[4,5]furo[3,2-c]pyridine derivatives as PDE 4 inhibitors GLENMARK PHARMACEUTICALS S.A. (CH) 2011-05-17 US disclosed
US-20090306082-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2009-12-10 US disclosed
US-20070021493-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2007-01-25 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-20090306082-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PTGER4, NOX4, PDE4A HTR7 2136/4885TAAR1 3319/4885HTR2A 2572/4885
US-20110130418-A1 SUBSTITUTED PHENYLENEDIAMINES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 TP53, MDM2, TP53BP1 HTR7 1383/4885TAAR1 4473/4885HTR2A 3253/4885
US-20070021493-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto SHH, SMO, GLI1 HTR7 1974/4885TAAR1 3774/4885HTR2A 3433/4885

“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.