SCHEMBL18876443

SCHEMBL18876443

CC(C)N1CCN(c2c(F)cc(CN3CCOCC3)cc2F)CC1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 15/20 0.51
▸ MAPT P10636 1/20 0.50
▸ CYP2A13 Q16696 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL18876445 0.86 HRH3 (0.46) HRH3MAPT
SCHEMBL18879756 0.85 HRH3 (0.47) HRH3MAPTCYP2A13SMN1; SMN2
SCHEMBL18970042 0.82 MAPT (0.43) HRH3MAPTCYP2A13SMN1; SMN2
SCHEMBL18876438 0.79 MEN1 (0.48) HRH3SMN1; SMN2
Hydrochloric Acid SCHEMBL17422312 0.78 HRH3 (0.42) HRH3MAPTCYP2A13SMN1; SMN2
SCHEMBL17422227 0.78 SMN1; SMN2 (0.45) HRH3MAPTSMN1; SMN2
SCHEMBL17432212 0.78 WDR5 (0.45) HRH3MAPTCYP2A13
SCHEMBL18876495 0.76 KDM4E (0.42) HRH3MAPT
SCHEMBL18879716 0.75 CHKA (0.50) MAPTSMN1; SMN2
SCHEMBL23008455 0.74 KDM4E (0.54) HRH3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9914737-B2 Triazolopyrimidinone or triazolopyridinone derivatives, and use thereof ST PHARM CO., LTD. (KR) 2018-03-13 — — US disclosed
US-9914737-B2 Triazolopyrimidinone or triazolopyridinone derivatives, and use thereof ST PHARM CO., LTD. (KR) 2018-03-13 — — US disclosed
US-20170166572-A1 NOVEL IMIDAZOTRIAZINONE OR IMIDAZOPYRAZINONE DERIVATIVES, AND USE THEREOF ST PHARM CO., LTD. (KR) 2017-06-15 — — US disclosed
US-20170145016-A1 NOVEL TRIAZOLOPYRIMIDINONE OR TRIAZOLOPYRIDINONE DERIVATIVES, AND USE THEREOF ST PHARM CO., LTD. (KR) 2017-05-25 — — US disclosed
US-20170145016-A1 NOVEL TRIAZOLOPYRIMIDINONE OR TRIAZOLOPYRIDINONE DERIVATIVES, AND USE THEREOF ST PHARM CO., LTD. (KR) 2017-05-25 — — 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-20170145016-A1 NOVEL TRIAZOLOPYRIMIDINONE OR TRIAZOLOPYRIDINONE DERIVATIVES, AND USE THEREOF TNKS1BP1, TNKS, TPI1 HRH3 3759/4885MAPT 44/4885CYP2A13 2293/4885
US-20170166572-A1 NOVEL IMIDAZOTRIAZINONE OR IMIDAZOPYRAZINONE DERIVATIVES, AND USE THEREOF TNKS1BP1, TPI1, TBKBP1 HRH3 3679/4885MAPT 46/4885CYP2A13 1628/4885

“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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