SCHEMBL16144070

SCHEMBL16144070

CCOC(=O)/C=C/CN1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ CHRM2 P08172 1/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ F13A1 P00488 1/20 0.37
▸ TGM2 P21980 1/20 0.37
▸ TGM1 P22735 1/20 0.37
▸ TLR8 Q9NR97 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ TERT O14746 1/20 0.36

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
SCHEMBL30418583 0.86 USP2 (0.43) SMN1; SMN2USP2CHRM2CHRM4CHRM1
SCHEMBL17532546 0.83 USP2 (0.45) SMN1; SMN2USP2CHRM2CHRM4CHRM1
SCHEMBL14165640 0.83 USP2 (0.45) SMN1; SMN2USP2CHRM2CHRM4CHRM1
SCHEMBL14165639 0.83 USP2 (0.45) SMN1; SMN2USP2CHRM2CHRM4CHRM1
SCHEMBL16113676 0.81 HCAR2 (0.44) SMN1; SMN2ALDH1A1POLBHTTMAPT
SCHEMBL16114006 0.81 HCAR2 (0.44) SMN1; SMN2ALDH1A1POLBHTTMAPT
SCHEMBL26430057 0.80 USP2 (0.47) SMN1; SMN2USP2CHRM2CHRM4CHRM1
SCHEMBL7282919 0.79 KDM4E (0.43) SMN1; SMN2USP2ALDH1A1
SCHEMBL7285037 0.79 KDM4E (0.43) SMN1; SMN2USP2ALDH1A1
SCHEMBL1189317 0.79 ALDH1A1 (0.56) SMN1; SMN2USP2ALDH1A1POLBHTT

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-10723753-B2 Ras inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-07-28 — — US disclosed
WO-2014160200-A9 RAS INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-11-27 — — WO disclosed
WO-2014160200-A1 RAS INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-10-02 — — 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-10723753-B2 Ras inhibitors and uses thereof KRAS, NRAS, RASGRP1 SMN1; SMN2 4846/4885USP2 1402/4885CHRM2 4686/4885

“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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