SCHEMBL6921678

SCHEMBL6921678

CCN1CCC(C2CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
GNAI3 P08754 4/20 0.43
GNAO1 P09471 4/20 0.43
GNAI1 P63096 4/20 0.43
HSD11B1 P28845 2/20 0.40
KDM4E B2RXH2 1/20 0.38
HRH3 Q9Y5N1 2/20 0.36
KMT2A Q03164 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
SCHEMBL22819552 1.00 SMN1; SMN2 (0.48) SMN1; SMN2GNAI3GNAO1GNAI1HSD11B1
SCHEMBL24891256 0.90 HSD11B1 (0.46) SMN1; SMN2GNAI3GNAO1GNAI1HSD11B1
SCHEMBL13548814 0.89 SMN1; SMN2 (0.45) SMN1; SMN2GNAI3GNAO1GNAI1HSD11B1
SCHEMBL13179250 0.88 SMN1; SMN2 (0.41) SMN1; SMN2GNAI3GNAO1GNAI1HSD11B1
SCHEMBL13462652 0.87 GNAI3 (0.59) SMN1; SMN2GNAI3GNAO1GNAI1HSD11B1
SCHEMBL10080978 0.87 GNAI3 (0.39) SMN1; SMN2GNAI3GNAO1GNAI1HSD11B1
SCHEMBL7733573 0.87 HSD11B1 (0.47) SMN1; SMN2GNAI3GNAO1GNAI1HSD11B1
SCHEMBL19416662 0.86 SMN1; SMN2 (0.46) SMN1; SMN2GNAI3GNAO1GNAI1HSD11B1
SCHEMBL27268804 0.85 SMN1; SMN2 (0.42) SMN1; SMN2GNAI3GNAO1GNAI1HSD11B1
SCHEMBL22737188 0.84 SMN1; SMN2 (0.38) SMN1; SMN2GNAI3GNAO1GNAI1HSD11B1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9849135-B2 USP14 inhibitors for treating or preventing viral infections PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-12-26 US disclosed
EP-2528911-B1 COMPOSITIONS AND METHODS FOR ENHANCING PROTEASOME ACTIVITY HARVARD COLLEGE (US) 2017-10-25 EP disclosed
US-9745321-B2 Fused pyrimidine compound, intermediate, preparation method therefor, and composition and application thereof SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2017-08-29 US disclosed
US-20160214994-A1 FUSED PYRIMIDINE COMPOUND, INTERMEDIATE, PREPARATION METHOD THEREFOR, AND COMPOSITION AND APPLICATION THEREOF SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2016-07-28 US disclosed
US-20160214989-A1 Compositions and Methods for Enhancing Proteasome Activity THE ASSAY DEPOT, INC. 2016-07-28 US disclosed
US-9206200-B2 N-linked lactam M1 receptor positive allosteric mogulators MERCK SHARP & DOHME CORP. (US) 2015-12-08 US disclosed
US-20150065498-A1 N-LINKED LACTAM M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2015-03-05 US disclosed
WO-2014116228-A1 USP14 INHIBITORS FOR TREATING OR PREVENTING VIRAL INFECTIONS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-07-31 WO disclosed
WO-2011094545-A2 COMPOSITIONS AND METHODS FOR ENHANCING PROTEASOME ACTIVITY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-08-04 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 (3 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-20160214994-A1 FUSED PYRIMIDINE COMPOUND, INTERMEDIATE, PREPARATION METHOD THEREFOR, AND COMPOSITION AND APPLICATION THEREOF PIK3CA, WEE1, TKFC SMN1; SMN2 4341/4885GNAI3 837/4885GNAO1 1122/4885
US-20150065498-A1 N-LINKED LACTAM M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, OPRM1 SMN1; SMN2 623/4885GNAI3 208/4885GNAO1 44/4885
US-20160214989-A1 Compositions and Methods for Enhancing Proteasome Activity PSMG3, PSME3, PSMB11 SMN1; SMN2 307/4885GNAI3 2473/4885GNAO1 3655/4885

“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.