SCHEMBL3602345

SCHEMBL3602345

[NH]c1ccc2c(c1)NC(=O)C(N1CCNCC1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
HTR2C P28335 7/20 0.37
TRPV1 Q8NER1 3/20 0.37
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR2A P28223 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.34
CRBN Q96SW2 1/20 0.34
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL4457511 0.89 DRD2 (0.44) DRD2DRD4HTR2CALDH1A1KDM4E
SCHEMBL3601332 0.88 TSHR (0.46) DRD2DRD4TRPV1ALDH1A1KDM4E
SCHEMBL3588943 0.86 DRD2 (0.44) DRD2DRD4HTR2CTRPV1ALDH1A1
SCHEMBL3602308 0.86 DRD2 (0.41) DRD2DRD4TRPV1ALDH1A1KDM4E
SCHEMBL3584531 0.85 TRPV1 (0.48) DRD2DRD4TRPV1ALDH1A1SMN1; SMN2
SCHEMBL3588007 0.85 DRD2 (0.40) DRD2DRD4TRPV1ALDH1A1KDM4E
SCHEMBL3600124 0.84 KMT2A (0.40) DRD2DRD4TRPV1ALDH1A1KDM4E
SCHEMBL3596536 0.84 DRD2 (0.40) DRD2DRD4TRPV1ALDH1A1KDM4E
SCHEMBL3602346 0.84 CA9 (0.43) DRD2DRD4HTR2CTRPV1ALDH1A1
SCHEMBL3595501 0.81 DRD2 (0.38) DRD2DRD4TRPV1ALDH1A1KDM4E

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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 EP 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 DRD2 530/4885DRD4 795/4885HTR2C 949/4885

“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.