SCHEMBL17833387

SCHEMBL17833387

COCCN(CCOC)C(=O)Cn1c(NCc2ccccc2)nc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.50
▸ TBXA2R P21731 1/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ CYP1A2 P05177 3/20 0.49
▸ CYP2C19 P33261 3/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ CYP2D6 P10635 2/20 0.49
▸ CYP2C9 P11712 2/20 0.49
▸ LMNA P02545 3/20 0.49
▸ TP53 P04637 2/20 0.49
▸ RAB9A P51151 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ HTT P42858 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPK1 P28482 1/20 0.47

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
SCHEMBL17824296 1.00 DRD2 (0.50) DRD2TBXA2RSMN1; SMN2CYP1A2CYP2C19
SCHEMBL17824284 0.92 DRD2 (0.50) DRD2TBXA2RSMN1; SMN2CYP1A2CYP2C19
SCHEMBL17824285 0.83 DRD2 (0.52) DRD2TBXA2RSMN1; SMN2CYP1A2CYP2C19
SCHEMBL17824312 0.82 RAB9A (0.64) DRD2TBXA2RSMN1; SMN2CYP1A2CYP2C19
SCHEMBL19714188 0.80 RAB9A (0.61) DRD2TBXA2RSMN1; SMN2CYP1A2CYP2C19
SCHEMBL19714481 0.79 SMN1; SMN2 (0.60) SMN1; SMN2CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL19713871 0.79 CYP1A2 (0.63) SMN1; SMN2CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL19714240 0.78 RAB9A (0.59) DRD2TBXA2RSMN1; SMN2CYP1A2CYP2C19
SCHEMBL19714563 0.78 ALDH1A1 (0.60) DRD2TBXA2RSMN1; SMN2CYP1A2CYP2C19
SCHEMBL19713922 0.78 ALDH1A1 (0.60) DRD2TBXA2RSMN1; SMN2CYP1A2CYP2C19

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
US-20170362184-A1 PRO-SURVIVAL COMPOUNDS HERIOT-WATT UNIVERSITY (GB) 2017-12-21 — — US disclosed
US-20170362184-A1 PRO-SURVIVAL COMPOUNDS HERIOT-WATT UNIVERSITY (GB) 2017-12-21 — — US disclosed
WO-2016092327-A1 PRO-SURVIVAL COMPOUNDS UNIVERSITY COURT OF THE UNIVERSITY OF GLASGOW (GB) 2016-06-16 — — WO 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-20170362184-A1 PRO-SURVIVAL COMPOUNDS MCL1, MKI67, MORF4L1 DRD2 4166/4885TBXA2R 3479/4885SMN1; SMN2 10/4885

“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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