SCHEMBL6317329

SCHEMBL6317329

Cc1cc(F)ccc1C1NCCCC1NC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.39
TACR1 P25103 4/20 0.37
NTRK1 P04629 2/20 0.36
HCRTR2 O43614 2/20 0.36
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
RORC P51449 2/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
KDM1A O60341 1/20 0.35
NPY5R Q15761 1/20 0.35
MAP3K5 Q99683 2/20 0.34
OPRL1 P41146 1/20 0.34

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
SCHEMBL6310438 0.85 KDM1A (0.41) HCRTR2HDAC4HDAC6TAS1R3TAS1R1
SCHEMBL5747737 0.78 KDM1A (0.43) KDM1A
SCHEMBL3162419 0.77 BTK (0.39) TACR1NTRK1KDM1ANPY5ROPRL1
SCHEMBL3162428 0.77 BTK (0.39) TACR1NTRK1KDM1ANPY5ROPRL1
SCHEMBL3162412 0.77 BTK (0.39) TACR1NTRK1KDM1ANPY5ROPRL1
SCHEMBL6311266 0.76 KDM1A (0.51) TACR1KDM1A
SCHEMBL5744386 0.76 KDM1A (0.51) TACR1KDM1A
SCHEMBL5745869 0.76 KDM1A (0.51) TACR1KDM1A
SCHEMBL5744384 0.76 KDM1A (0.51) TACR1KDM1A
SCHEMBL5744393 0.76 KDM1A (0.51) TACR1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043354-A1 NK1 antagonist PFIZER INC 2005-02-24 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-20050043354-A1 NK1 antagonist TACR2, TACR1, TAC3 F2R 289/4885TACR1 2/4885NTRK1 379/4885

“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.