SCHEMBL3070429

SCHEMBL3070429

CCCCc1ccccc1CCNC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 5/20 0.57
▸ ATM Q13315 1/20 0.48
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ LIPG Q9Y5X9 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SIGMAR1 Q99720 2/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.41
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNA7 P36544 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ LMNA P02545 1/20 0.40

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
SCHEMBL3062235 0.87 TAAR1 (0.61) TAAR1ATMALDH1A1KDM4EHTR1A
SCHEMBL21243264 0.85 SIGMAR1 (0.55) CYP3A4CYP2D6CYP2C9LIPGSIGMAR1
SCHEMBL245188 0.84 LIPG (0.56) CYP3A4CYP2D6CYP2C9LIPG
SCHEMBL29520482 0.84 LIPG (0.56) CYP3A4CYP2D6CYP2C9LIPG
SCHEMBL8857520 0.83 CYP3A4 (0.45) TAAR1CYP3A4CYP2D6CYP2C9KDM4E
SCHEMBL3053777 0.83 TAAR1 (0.61) TAAR1ATMALDH1A1KDM4EHTR1A
SCHEMBL5430739 0.82 LIPG (0.50) CYP3A4CYP2D6CYP2C9HTR2ALIPG
SCHEMBL2049761 0.82 LIPG (0.54) CYP3A4CYP2D6CYP2C9LIPG
Ammonia Solution, Strong SCHEMBL28991000 0.82 LIPG (0.54) CYP3A4CYP2D6CYP2C9LIPG
Hydrogen Sulfide SCHEMBL28851632 0.82 LIPG (0.54) CYP3A4CYP2D6CYP2C9LIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394979-B2 Process for preparing cycloplatinated platinum complexes, platinum complexes prepared by this process and the use thereof RHEINISCHE-WESTFALISCHE TECHNISCHE HOCHSCHULE AACHEN (DE) 2013-03-12 — — US disclosed
US-20100267977-A1 METHOD FOR PRODUCING CYCLOPLATINIZED PLATINUM COMPLEXES, PLATINUM COMPLEXES PRODUCED BY SAID METHOD, AND THE USE THEREOF RHEINISCHE-WESTFALISCHE TECHNISCHE HOCHSCHULE AACHEN (DE) 2010-10-21 — — 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-20100267977-A1 METHOD FOR PRODUCING CYCLOPLATINIZED PLATINUM COMPLEXES, PLATINUM COMPLEXES PRODUCED BY SAID METHOD, AND THE USE THEREOF THPO, MCL1, PPOX TAAR1 4519/4885ATM 3588/4885CYP3A4 2072/4885

“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.

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