SCHEMBL3915205

SCHEMBL3915205

COCCNCC1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
CCNK O75909 5/20 0.37
CDK9 P50750 5/20 0.37
SAT1 P21673 1/20 0.37
CCNT1 O60563 1/20 0.34
ATM Q13315 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KDM1A O60341 1/20 0.33
HOGA1 Q86XE5 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
P2RY13 Q9BPV8 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32

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
SCHEMBL2773094 0.86
Hydrochloric Acid SCHEMBL4349285 0.84 SAT1 (0.47) ALDH1A1TSHRTDP1SAT1ATM
SCHEMBL7946281 0.80 ADH1B (0.42) ALDH1A1TSHRTDP1SAT1ATM
SCHEMBL4962562 0.78 SAT1 (0.45) SAT1NPC1RAB9ACHRM2CHRM1
SCHEMBL5360130 0.76 KCNH3 (0.37) ALDH1A1TDP1SAT1NPC1RAB9A
SCHEMBL16086929 0.74 SAT1 (0.55) ALDH1A1TSHRSAT1GNAI3GNAO1
SCHEMBL14613735 0.73 CHRM2 (0.33) KDM1ACHRM2CHRM1CHRM3
SCHEMBL4572204 0.73 SAT1 (0.48) SAT1NPC1RAB9AGNAI3GNAO1
SCHEMBL5012078 0.72 KDM4E (0.39) ALDH1A1TDP1CCNKCDK9CCNT1
SCHEMBL19087023 0.72 GNAI3 (0.62) ALDH1A1TSHRSAT1KMT2AGNAI3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035372-A1 MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-03-18 EP claimed
WO-2008005338-A1 MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-01-10 WO claimed
US-20150011759-A1 PROCESSES FOR PREPARING (R)-2-METHYLPYRROLIDINE AND (S)-2-METHYLPYRROLIDINE AND TARTRATE SALTS THEREOF CEPHALON, INC. (US) 2015-01-08 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 (1 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-20150011759-A1 PROCESSES FOR PREPARING (R)-2-METHYLPYRROLIDINE AND (S)-2-METHYLPYRROLIDINE AND TARTRATE SALTS THEREOF TPMT, SPR, QDPR ALDH1A1 1386/4885TSHR 2339/4885TDP1 298/4885

“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.