SCHEMBL17039238

SCHEMBL17039238

O=C(Nc1cccc(-c2ccc(F)cc2Cl)c1F)[C@@H]1C[C@@H](F)CN1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 5/20 0.37
▸ CTSC P53634 4/20 0.36
▸ CHRM2 P08172 2/20 0.35
▸ CHRM1 P11229 2/20 0.35
▸ CHRM3 P20309 2/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ GRM2 Q14416 1/20 0.34
▸ HTR1A P08908 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ SCN5A Q14524 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ P2RX7 Q99572 1/20 0.32
▸ ALOX15 P16050 2/20 0.32

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
SCHEMBL17023724 0.89 CFD (0.42) CFDCTSCCHRM2CHRM1CHRM3
SCHEMBL29545547 0.89 CFD (0.42) CFDCTSCCHRM2CHRM1CHRM3
SCHEMBL18555502 0.89 CFD (0.42) CFDCTSCCHRM2CHRM1CHRM3
SCHEMBL18576565 0.89 CFD (0.42) CFDCTSCCHRM2CHRM1CHRM3
SCHEMBL17053073 0.89 CFD (0.42) CFDCTSCCHRM2CHRM1CHRM3
SCHEMBL17031918 0.88 CTSC (0.36) CFDCTSC
Hydrochloric Acid SCHEMBL17049108 0.88 ALOX15 (0.36) CTSCCHRM2CHRM1CHRM3GSK3A
Hydrochloric Acid SCHEMBL17023497 0.88 CFD (0.41) CFDCTSCCHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL29544869 0.88 CFD (0.41) CFDCTSCCHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL17046887 0.88 CFD (0.41) CFDCTSCCHRM2CHRM1CHRM3

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-9828396-B2 Alkyne compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-11-28 — — US disclosed
WO-2015130784-A1 ALKYNE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2015-09-03 — — WO disclosed
US-20150239868-A1 Alkyne Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 — — 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-20150239868-A1 Alkyne Compounds for Treatment of Complement Mediated Disorders CFD, C9, TFPI CFD 1/4885CTSC 1113/4885CHRM2 1152/4885

“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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