SCHEMBL17940604

SCHEMBL17940604

Cn1cc(C2CCNCC2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
RET P07949 1/20 0.43
HCAR2 Q8TDS4 1/20 0.41
CHEK1 O14757 2/20 0.41
CCNA2 P20248 2/20 0.41
CDK2 P24941 2/20 0.41
CCNA1 P78396 2/20 0.41
CLK1 P49759 1/20 0.41
CLK2 P49760 1/20 0.41
DYRK1A Q13627 1/20 0.41
HIPK1 Q86Z02 1/20 0.41
HIPK2 Q9H2X6 1/20 0.41
HIPK3 Q9H422 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
HTR2C P28335 6/20 0.41
PIM1 P11309 2/20 0.40
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39

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
Hydrochloric Acid SCHEMBL2885168 0.98 SLC18A3 (0.42) SLC18A3SIGMAR1RETHCAR2CHEK1
SCHEMBL25841555 0.93 PIM1 (0.42) SLC18A3SIGMAR1RETHCAR2CHEK1
SCHEMBL15219422 0.89 HTR3A (0.44) RETHCAR2CHEK1CCNA2CDK2
SCHEMBL16131370 0.86
SCHEMBL25048372 0.82 CREBBP (0.44) HCAR2HRH3HSD11B1MEN1KMT2A
SCHEMBL25731550 0.82 HSD11B1 (0.44) HCAR2HRH3HSD11B1MEN1KMT2A
SCHEMBL22945192 0.80 CHEK1 (0.48) RETCHEK1CCNA2CDK2CCNA1
SCHEMBL22886458 0.80 HCAR2 (0.43) HCAR2CHEK1CCNA2CDK2CCNA1
SCHEMBL21733885 0.80 CREBBP (0.45) HCAR2HSD11B1MEN1KMT2A
SCHEMBL16799179 0.80 RET (0.60) SLC18A3SIGMAR1RETCHEK1CCNA2

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-20230104936-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. 2023-04-06 US disclosed
US-9850203-B2 Autotaxin inhibitor compounds PHARMAKEA, INC. (US) 2017-12-26 US disclosed
US-20160214935-A1 AUTOTAXIN INHIBITOR COMPOUNDS DF 2024 IP ACQUISITION, LLC 2016-07-28 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 (2 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-20230104936-A1 TRPML MODULATORS TRPM2, TRPM4, TRPM5 SLC18A3 140/4885SIGMAR1 683/4885RET 2855/4885
US-20160214935-A1 AUTOTAXIN INHIBITOR COMPOUNDS ENPP2, SERPINB1, SERPINE1 SLC18A3 3713/4885SIGMAR1 4804/4885RET 3876/4885

“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.