SCHEMBL20420134

SCHEMBL20420134

Cn1cnc(-c2ccc(C3=CCNCC3)cc2F)n1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.43
KHK P50053 6/20 0.42
QDPR P09417 3/20 0.42
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
CCNT1 O60563 2/20 0.40
CDK9 P50750 2/20 0.40
SIGMAR1 Q99720 2/20 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
Hydrochloric Acid SCHEMBL18113568 0.99 HTR2C (0.44) HTR2CKHKQDPRALOX5APFEN1
Hydrochloric Acid SCHEMBL18113566 0.91 ALOX5AP (0.44) HTR2CKHKQDPRALOX5APFEN1
SCHEMBL20414655 0.91 ALOX5AP (0.44) HTR2CKHKQDPRALOX5APFEN1
SCHEMBL12373870 0.84 HTR2C (0.49) HTR2CKHKQDPRSIGMAR1
Hydrochloric Acid SCHEMBL2278255 0.82 HTR2C (0.50) HTR2CKHKQDPRSIGMAR1
Hydrochloric Acid SCHEMBL20395786 0.82 HTR2C (0.50) HTR2CKHKQDPRSIGMAR1
SCHEMBL20414657 0.81 PDE3B (0.38) ALOX5APFEN1
SCHEMBL1199994 0.79 HTR2C (0.48) HTR2CKHKQDPRALOX5APFEN1
SCHEMBL18121807 0.78 MMP2 (0.35) QDPRCCNT1CDK9SIGMAR1
SCHEMBL27025830 0.78 HTR2C (0.47) HTR2CKHKQDPRALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190201380-A1 SPIROCYCLIC COMPOUNDS KALYRA PHARMACEUTICALS, INC. 2019-07-04 US disclosed
US-20180207132-A1 SPIROCYCLIC COMPOUNDS RECURIUM IP HOLDINGS, LLC 2018-07-26 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-20190201380-A1 SPIROCYCLIC COMPOUNDS PKD1, AR, PKD2 HTR2C 2823/4885KHK 2109/4885QDPR 2060/4885
US-20180207132-A1 SPIROCYCLIC COMPOUNDS PKD1, AR, PKD2 HTR2C 2823/4885KHK 2109/4885QDPR 2060/4885

“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.