SCHEMBL15717675

SCHEMBL15717675

CC1(C)c2ccccc2C(N)C1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.41
OPRM1 P35372 1/20 0.35
KMT2A Q03164 2/20 0.34
CYP3A4 P08684 2/20 0.33
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 1/20 0.33
AADAT Q8N5Z0 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
BCHE P06276 1/20 0.33
CHRM5 P08912 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
PRCP P42785 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 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
SCHEMBL15717672 1.00 HTR2A (0.41) HTR2AOPRM1KMT2ACYP3A4MEN1
SCHEMBL15717673 1.00 HTR2A (0.41) HTR2AOPRM1KMT2ACYP3A4MEN1
SCHEMBL28251485 0.81 HTR2A (0.42) HTR2AKMT2ACYP3A4MEN1CYP2D6
SCHEMBL8829487 0.79 HTR2A (0.41) HTR2AOPRM1KMT2A
SCHEMBL8829485 0.79 HTR2A (0.41) HTR2AOPRM1KMT2A
SCHEMBL8829484 0.79 HTR2A (0.41) HTR2AOPRM1KMT2A
SCHEMBL18293100 0.77 HTR2A (0.38) HTR2AKMT2ACYP3A4MEN1CYP2D6
SCHEMBL2392890 0.76 HTR2A (0.39) HTR2AOPRM1KMT2A
SCHEMBL2999927 0.74 PDK2 (0.37) HTR2AKMT2A
SCHEMBL18192144 0.73 KDM1A (0.40) HTR2APRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10889589-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain ARRAY BIOPHARMA INC. (US) 2021-01-12 US disclosed
US-20190270749-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN ARRAY BIOPHARMA INC. (US) 2019-09-05 US disclosed
US-10351575-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain ARRAY BIOPHARMA INC. (US) 2019-07-16 US disclosed
US-20160355521-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN ARRAY BIOPHARMA INC. (US) 2016-12-08 US disclosed
EP-2920166-B1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN ARRAY BIOPHARMA INC (US) 2016-11-02 EP disclosed
EP-2920166-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN Array Biopharma, Inc. (US) 2015-09-23 EP disclosed
WO-2014078454-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN ARRAY BIOPHARMA INC. (US) 2014-05-22 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 (4 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-20190270749-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN TK1, UACA, TDP1 HTR2A 1325/4885OPRM1 184/4885KMT2A 3789/4885
US-10889589-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain TK1, UACA, TDP1 HTR2A 1325/4885OPRM1 184/4885KMT2A 3789/4885
US-10351575-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain TK1, UACA, TDP1 HTR2A 1325/4885OPRM1 184/4885KMT2A 3789/4885
US-20160355521-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN TK1, UACA, TDP1 HTR2A 1325/4885OPRM1 184/4885KMT2A 3789/4885

“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.