SCHEMBL10189920

SCHEMBL10189920

CC(C)(C)OC(=O)N1CCC(c2nnc(Cn3nccn3)n2-c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.52
LMNA P02545 2/20 0.47
POLB P06746 1/20 0.47
THRB P10828 3/20 0.47
TP53 P04637 2/20 0.47
HPGDS O60760 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
AVPR1A P37288 1/20 0.45
MAPT P10636 1/20 0.45
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL315881 0.91 MEN1 (0.52) GPR119LMNAPOLBTHRBTP53
SCHEMBL8285418 0.77 MEN1 (0.53) GPR119LMNATHRBTP53GAA
SCHEMBL8285133 0.76 CACNB4 (0.46) GPR119LMNATHRBTP53GAA
SCHEMBL8255797 0.76 MEN1 (0.52) GPR119LMNATHRBTP53GAA
SCHEMBL5212840 0.76 BRD4 (0.57) GPR119LMNATHRBTP53HPGDS
SCHEMBL5006703 0.74 AVPR1A (0.77) AVPR1A
SCHEMBL5215842 0.74 AVPR1A (0.59) GPR119LMNATHRBTP53GAA
SCHEMBL15451333 0.73 AVPR1A (0.46) LMNAPOLBAVPR1AMAPT
SCHEMBL3562965 0.73 GPR119 (0.57) GPR119LMNAPOLBTHRBTP53
SCHEMBL3557759 0.73 GPR119 (0.57) GPR119LMNAPOLBTHRBTP53

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-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 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-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 GPR119 379/4885LMNA 1738/4885POLB 3375/4885

“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.