SCHEMBL17039147

SCHEMBL17039147

CCC1CC(=O)Cc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.44
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
CYP1A2 P05177 1/20 0.43
ANPEP P15144 3/20 0.42
HRH1 P35367 6/20 0.40
TP53 P04637 1/20 0.40
RECQL P46063 1/20 0.40
HTR2C P28335 1/20 0.39
CYP2A6 P11509 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
SCHEMBL11883759 0.81 HTR2A (0.46) HTR2AMTNR1AMTNR1B
SCHEMBL6653008 0.76 CYP1A2 (0.48) HTR2ACYP1A2ANPEPHRH1TP53
SCHEMBL3800822 0.72 CYP1A2 (0.48) HTR2AMTNR1AMTNR1BCYP1A2ANPEP
SCHEMBL20992176 0.72 CYP1A2 (0.48) HTR2ACYP1A2ANPEPHRH1TP53
SCHEMBL568436 0.72 HTR2C (0.49) HTR2AHTR2C
SCHEMBL17050195 0.72 ANPEP (0.55) HTR2ACYP1A2ANPEPHRH1TP53
SCHEMBL19368260 0.71 HTR2A (0.44) HTR2ACYP1A2ANPEPHRH1TP53
SCHEMBL17031841 0.71 CYP1A2 (0.43) HTR2AMTNR1AMTNR1BCYP1A2ANPEP
SCHEMBL11144393 0.71 CYP1A2 (0.58) HTR2ACYP1A2ANPEPHRH1HTR2C
SCHEMBL5897623 0.70 MEN1 (0.48) CYP1A2

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
US-20160361329-A1 COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-12-15 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 HTR2A 2456/4885MTNR1A 3436/4885MTNR1B 2265/4885
US-20160361329-A1 COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, CFH, TFPI HTR2A 4176/4885MTNR1A 3782/4885MTNR1B 2125/4885

“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.