SCHEMBL17036508

SCHEMBL17036508

CC(C)(C)C#CCC1CCNCC1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 2/20 0.31
GBA1 P04062 1/20 0.31
GNAI3 P08754 1/20 0.30
GNAI1 P63096 1/20 0.30

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
SCHEMBL17036497 0.88 SLC6A1 (0.37)
SCHEMBL17036501 0.78
SCHEMBL14979154 0.76 GBA1 (0.33) GNAO1GBA1GNAI3GNAI1
SCHEMBL19142193 0.74 GNAO1 (0.35) GNAO1GBA1GNAI3GNAI1
SCHEMBL16502141 0.71 GBA1 (0.33) GBA1
SCHEMBL2611004 0.71 CPN1 (0.31) GNAO1GBA1GNAI3GNAI1
SCHEMBL17036523 0.71 SLC6A2 (0.34)
SCHEMBL4762513 0.67 THRA (0.38) GNAO1GBA1GNAI3GNAI1
SCHEMBL17036502 0.67
SCHEMBL31387741 0.67

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 GNAO1 3402/4885GBA1 747/4885GNAI3 1454/4885
US-20180072762-A1 ALKYNE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, C9, TFPI GNAO1 3402/4885GBA1 747/4885GNAI3 1454/4885

“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.