SCHEMBL2633895

SCHEMBL2633895

CC(C)CC1(CN)CCC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
BLM P54132 1/20 0.35
CACNA2D1 P54289 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL860116 0.93 USP2 (0.43) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL23123018 0.90
SCHEMBL13644279 0.82 TSHR (0.31) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL13849271 0.76 USP2 (0.33) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL3687892 0.76 USP2 (0.30) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL18502136 0.75 TSHR (0.32) TSHR
SCHEMBL7401284 0.75 USP2 (0.45) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL13377909 0.75 USP2 (0.36) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL4117794 0.74
SCHEMBL13190603 0.73 ALDH1A1 (0.32) ALDH1A1

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
WO-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 WO disclosed
WO-2011149841-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-α MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-01 WO disclosed
US-20070010543-A1 Compositions and methods for treating gastrointestinal hypomotility and associated disorders DYNOGEN PHARMACEUTICALS, INC. (US) 2007-01-11 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-20070010543-A1 Compositions and methods for treating gastrointestinal hypomotility and associated disorders HTR3A, HNMT, HTR3B USP2 2844/4885ALDH1A1 1801/4885LMNA 1875/4885

“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.