SCHEMBL15848419

SCHEMBL15848419

O=C(O)N1CCCC1c1ncc(-c2ccc(Cl)cc2)[nH]1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRCP P42785 11/20 0.68
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 2/20 0.54
NR1I2 O75469 1/20 0.54
ABCB11 O95342 1/20 0.54
OPRK1 P41145 1/20 0.54
KCNH2 Q12809 1/20 0.54
HCRTR1 O43613 2/20 0.50
HCRTR2 O43614 2/20 0.50
CYP1A2 P05177 1/20 0.48

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
SCHEMBL15848417 1.00 PRCP (0.68) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL6128238 0.99 PRCP (0.70) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL3343952 0.93 PRCP (0.61) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL15848586 0.89 PRCP (0.56) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL15848588 0.89 PRCP (0.56) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL16498829 0.89 PRCP (0.59) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL15848395 0.88 PRCP (0.57) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL15848314 0.88 PRCP (0.68) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL15848315 0.88 PRCP (0.68) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL3448550 0.88 PRCP (0.55) PRCPCYP3A4CYP2C9NR1I2ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170129916-A1 NOVEL BETULINIC PROLINE IMIDAZOLE DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2017-05-11 US disclosed
US-9637516-B2 Betulinic acid proline derivatives as HIV inhibitors HETERO RESEARCH FOUNDATION (IN) 2017-05-02 US disclosed
US-20150337004-A1 NOVEL BETULINIC ACID PROLINE DERIVATIVES AS HIV INHIBITORS HETERO LABS LIMITED (IN) 2015-11-26 US disclosed
WO-2014105926-A1 NOVEL BETULINIC ACID PROLINE DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2014-07-03 WO 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-20170129916-A1 NOVEL BETULINIC PROLINE IMIDAZOLE DERIVATIVES AS HIV INHIBITORS BET1, PRR12, PREP PRCP 501/4885CYP3A4 3355/4885CYP2C9 4010/4885
US-20150337004-A1 NOVEL BETULINIC ACID PROLINE DERIVATIVES AS HIV INHIBITORS BET1, PRR12, PELP1 PRCP 372/4885CYP3A4 3717/4885CYP2C9 4027/4885

“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.