SCHEMBL6909657

SCHEMBL6909657

CC1(c2ccc(C#N)cc2)CO1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.40
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
CA2 P00918 2/20 0.38
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
PGR P06401 4/20 0.37
CA1 P00915 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
TSHR P16473 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
ICMT O60725 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
SCHEMBL1499439 0.82 CHRNB2 (0.35) ALDH1A1POLB
SCHEMBL30802 0.80 CYP2A6 (0.40) CYP2A6ALDH1A1POLBNOS3NOS1
SCHEMBL7582783 0.79 PGR (0.32) CYP2A6ALDH1A1POLBPGR
SCHEMBL3092427 0.78 POLB (0.42) CYP2A6ALDH1A1POLBNOS3NOS1
SCHEMBL2326687 0.78 KCNH2 (0.42) CYP2A6ALDH1A1POLBCA2CA12
SCHEMBL18721985 0.76 POLB (0.38) CYP2A6ALDH1A1POLBNOS3NOS1
SCHEMBL703760 0.74 CYP2A6 (0.46) CYP2A6ALDH1A1POLBCA2CA12
SCHEMBL3509939 0.73 SLC6A2 (0.47) POLB
SCHEMBL11489793 0.71 OPRM1 (0.34) CA2CA1
SCHEMBL990597 0.71 SLC6A4 (0.47) CYP2A6ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250026764-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 UNIV VANDERBILT (US) 2025-01-23 US disclosed
US-20230348490-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-11-02 US disclosed
US-20230348490-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-11-02 US disclosed
US-20230348490-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-11-02 US disclosed
EP-4186910-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 Vanderbilt University (US) 2023-05-31 EP disclosed
US-20230014109-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-01-19 US disclosed
US-11142532-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2021-10-12 US disclosed
US-20190161498-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2019-05-30 US disclosed
EP-3474846-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 Vanderbilt University (US) 2019-05-01 EP disclosed
US-10239887-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2019-03-26 US disclosed
US-20170369505-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2017-12-28 US disclosed
US-20170369505-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2017-12-28 US disclosed
WO-2017223290-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2017-12-28 WO disclosed
US-20040110764-A1 Inhibitors of prenyl-protein transferase STUMP CRAIG A (US) 2004-06-10 US disclosed
WO-2001076693-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-10-18 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 (8 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-20230014109-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM5, CHRM2 CYP2A6 2119/4885ALDH1A1 3751/4885POLB 3729/4885
US-20230348490-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM5, CHRM2 CYP2A6 2119/4885ALDH1A1 3751/4885POLB 3729/4885
US-20250026764-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM5, CHRM2 CYP2A6 2119/4885ALDH1A1 3751/4885POLB 3729/4885
US-11142532-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 CHRM4, CHRM5, CHRM2 CYP2A6 2119/4885ALDH1A1 3751/4885POLB 3729/4885
US-20190161498-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM5, CHRM2 CYP2A6 2119/4885ALDH1A1 3751/4885POLB 3729/4885
US-20170369505-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM5, CHRM2 CYP2A6 2119/4885ALDH1A1 3751/4885POLB 3729/4885
US-20040110764-A1 Inhibitors of prenyl-protein transferase FNTA, KRAS, PTAR1 CYP2A6 3428/4885ALDH1A1 3634/4885POLB 3543/4885
US-10239887-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 CHRM4, CHRM5, CHRM2 CYP2A6 2119/4885ALDH1A1 3751/4885POLB 3729/4885

“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.