SCHEMBL21144110

SCHEMBL21144110

Cc1ccn(-c2nc(Cl)cc(N(C(=O)O)C3CCC(F)(F)CC3)n2)n1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.35
AVPR2 P30518 7/20 0.33
AVPR1A P37288 5/20 0.33
OPRM1 P35372 8/20 0.31
TPH1 P17752 2/20 0.31
OXTR P30559 1/20 0.31
CACNA2D1 P54289 4/20 0.31
KCNJ6 P48051 1/20 0.31
KCNJ5 P48544 1/20 0.31
KCNJ3 P48549 1/20 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
SCHEMBL19687203 0.87 IDH1 (0.34) IDH1TPH1KCNJ6KCNJ5KCNJ3
SCHEMBL21144176 0.83 HTT (0.45)
SCHEMBL21144188 0.81 IDH1 (0.33) IDH1
SCHEMBL21143874 0.80 IDH1 (0.34) IDH1OPRM1KCNJ6KCNJ5KCNJ3
SCHEMBL21143623 0.80 IDH1 (0.30) IDH1
SCHEMBL21143593 0.80 IDH1 (0.30) IDH1
SCHEMBL21144111 0.74 IDH1 (0.39) IDH1KCNJ6KCNJ5KCNJ3
SCHEMBL19686534 0.73 IDH1 (0.48) IDH1
SCHEMBL19687472 0.71 HTT (0.41)
SCHEMBL20153240 0.71 NAPEPLD (0.33) IDH1

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-10774064-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2020-09-15 US disclosed
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2019-07-18 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-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885AVPR2 722/4885AVPR1A 901/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885AVPR2 722/4885AVPR1A 901/4885

“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.