SCHEMBL9811537

SCHEMBL9811537

c1cc(C2CCNCC2)cs1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
GABRA1 P14867 3/20 0.49
GABRG2 P18507 3/20 0.49
GABRB3 P28472 3/20 0.49
HTR2C P28335 10/20 0.44
QDPR P09417 1/20 0.44
PLG P00747 2/20 0.39
HCAR2 Q8TDS4 1/20 0.38
HTR3A P46098 1/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL7669379 0.88 HTR3A (0.52) SLC18A3SIGMAR1GABRA1GABRG2GABRB3
SCHEMBL7669376 0.88 HTR3A (0.52) SLC18A3SIGMAR1GABRA1GABRG2GABRB3
SCHEMBL18825946 0.80 KDR (0.41) GABRA1GABRG2GABRB3HCAR2
SCHEMBL3089324 0.80
SCHEMBL31087550 0.78 KDR (0.43) SLC18A3HCAR2
SCHEMBL146605 0.78 KDR (0.43) SLC18A3HCAR2
SCHEMBL10726486 0.77 HCAR2 (0.36) GABRA1GABRG2GABRB3HCAR2
SCHEMBL24067500 0.77 SLC18A3 (0.64) SLC18A3SIGMAR1GABRA1GABRG2GABRB3
SCHEMBL12526246 0.75 HCAR2 (0.35) HCAR2
SCHEMBL1365978 0.75 HCAR2 (0.38) HCAR2

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-10414771-B2 Compounds useful for inhibiting metastasis from cancer and methods using same DREXEL UNIVERSITY (US) 2019-09-17 US disclosed
US-20180099972-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same UNIV DREXEL (US) 2018-04-12 US disclosed
US-7491737-B2 Heterarylpiperidine modulators of chemokine receptor activity MERCK & CO., INC. (US) 2009-02-17 US disclosed
US-7491737-B2 Heterarylpiperidine modulators of chemokine receptor activity MERCK & CO., INC. (US) 2009-02-17 US disclosed
US-7247725-B2 Gamma-aminoamide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2007-07-24 US disclosed
US-7247725-B2 Gamma-aminoamide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2007-07-24 US disclosed
EP-0272208-B1 AROMATICALLY SUBSTITUTED AZACYCLO-ALKYLALKANEDIPHOSPHONIC ACIDS CIBA-GEIGY AG (CH) 1991-06-12 EP disclosed
US-4871720-A Aromatically substituted azacycloalkyl-alkanediphosphonic acids useful for the treatment of illnesses that can be attributed to calcium metabolism disorders CIBA-GEIGY CORPORATION (US) 1989-10-03 US disclosed
EP-0272208-A1 Aromatically substituted azacyclo-alkylalkanediphosphonic acids CIBA-GEIGY AG (CH) 1988-06-22 EP 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-20180099972-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 SLC18A3 222/4885SIGMAR1 1873/4885GABRA1 3338/4885
US-10414771-B2 Compounds useful for inhibiting metastasis from cancer and methods using same CX3CR1, CCL2, CCR5 SLC18A3 222/4885SIGMAR1 1873/4885GABRA1 3338/4885

“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.