SCHEMBL17036503

SCHEMBL17036503

CC(C)(C)C#CCc1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 1/20 0.37
RAB9A P51151 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
KIF11 P52732 1/20 0.33
FDPS P14324 1/20 0.32
POLB P06746 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HRH1 P35367 2/20 0.31

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
SCHEMBL3712350 0.80 LOXL2 (0.32) LOXL2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL13907293 0.79 LOXL2 (0.50) LOXL2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL17036491 0.79 LOXL2 (0.44) LOXL2CYP2D6HSD17B10HRH3HRH4
SCHEMBL3218234 0.78 SLC6A2 (0.41) CYP1A2CYP3A4CYP2D6
SCHEMBL17036536 0.78 LOXL2 (0.37) LOXL2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL17036495 0.77 CHRNB2 (0.46) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL17039199 0.76 LOXL2 (0.42) LOXL2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL17036507 0.75 HSP90AA1 (0.33)
SCHEMBL17039127 0.74 LOXL2 (0.41) LOXL2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL13597757 0.71 HRH3 (0.45) CYP3A4CYP2C19CYP2D6HRH3KIF11

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-20180072762-A1 ALKYNE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-03-15 US disclosed
US-9828396-B2 Alkyne compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-11-28 US 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 (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-20150239868-A1 Alkyne Compounds for Treatment of Complement Mediated Disorders CFD, C9, TFPI LOXL2 1525/4885CYP1A2 3938/4885CYP3A4 4155/4885
US-20180072762-A1 ALKYNE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, C9, TFPI LOXL2 1525/4885CYP1A2 3938/4885CYP3A4 4155/4885

“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.