SCHEMBL834229

SCHEMBL834229

CNc1cccc(C2CCN(C)CC2)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.41
HTR1F P30939 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
THPO P40225 1/20 0.40
HTR6 P50406 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
ASAH1 Q13510 1/20 0.37

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
SCHEMBL824207 0.78 HDAC3 (0.43) QDPRHTR1FCYP1A2CYP3A4CYP2D6
SCHEMBL824172 0.74 QDPR (0.53) QDPRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29566591 0.72 QDPR (0.47) QDPRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL824173 0.72 GPR35 (0.50) HTR1FHTR6
SCHEMBL24310108 0.71 QDPR (0.46) QDPRHTR1FCYP1A2CYP3A4CYP2D6
SCHEMBL3773284 0.70 DRD2 (0.50) QDPRCYP2D6HTR6CXCR2
SCHEMBL12393854 0.69 QDPR (0.47) QDPRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14309268 0.69 PDPK1 (0.36) CYP2D6
SCHEMBL11138990 0.69 IDO1 (0.44) CYP1A2CYP3A4HTR6
SCHEMBL17368685 0.68 CYP1A2 (0.59) QDPRCYP1A2CYP3A4CYP2D6CYP2C9

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-8143287-B2 Thrombopoietin mimetics STATEGICS, INC. (US) 2012-03-27 US disclosed
US-20100323965-A1 Thrombopoietin Mimetics STATEGICS, INC. (US) 2010-12-23 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-20100323965-A1 Thrombopoietin Mimetics MPL, THPO, TEK QDPR 3134/4885HTR1F 1985/4885CYP1A2 4132/4885

“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.