SCHEMBL18626507

SCHEMBL18626507

CC(=O)N1CCC(NCc2cc(F)cc(C(C)C)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 3/20 0.43
▸ NPY5R Q15761 2/20 0.41
▸ DRD4 P21917 2/20 0.41
▸ LTA4H P09960 3/20 0.39
▸ CARM1 Q86X55 1/20 0.39
▸ PRMT6 Q96LA8 1/20 0.39
▸ SMYD3 Q9H7B4 1/20 0.39
▸ TEAD1 P28347 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL19008159 0.86 KDM4E (0.45) KDM4ELMNAGAAMAPTTSHR
SCHEMBL15587405 0.84 OPRL1 (0.47) OPRL1NPY5RDRD4LTA4HCARM1
SCHEMBL15587409 0.84 MAP4K4 (0.47) OPRL1CARM1PRMT6
SCHEMBL19016213 0.83 ALDH1A1 (0.41) OPRL1CARM1PRMT6KDM4ETSHR
SCHEMBL19008157 0.82 DRD4 (0.49) DRD4LTA4HCARM1PRMT6TEAD1
SCHEMBL19008167 0.81 ALDH1A1 (0.45) CARM1PRMT6KDM4EMAPTTSHR
SCHEMBL18626597 0.81 ALDH1A1 (0.49) KDM4EMAPTTSHRHTT
SCHEMBL19008163 0.80 LMNA (0.37) LTA4HCARM1PRMT6KDM4ELMNA
SCHEMBL13911887 0.78 BCHE (0.56) OPRL1LTA4HTEAD1KDM4EGAA
SCHEMBL18626535 0.78 TSHR (0.43) OPRL1LTA4HCARM1PRMT6KDM4E

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-9855269-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2018-01-02 — — US disclosed
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2017-06-22 — — US disclosed
US-9592235-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2017-03-14 — — 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 (1 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-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES FLT4, FLT1, KDR OPRL1 2862/4885NPY5R 491/4885DRD4 2093/4885

“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.

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