SCHEMBL3762702

SCHEMBL3762702

CCC(C)N1CCN(C(=O)CN2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
LMNA P02545 2/20 0.49
TP53 P04637 1/20 0.49
CCR1 P32246 13/20 0.48
CYP2C19 P33261 1/20 0.46
KCNH2 Q12809 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
GFER P55789 1/20 0.45
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
SCHEMBL3766290 0.91 MAPT (0.52) MAPTLMNATP53CCR1CYP2C19
SCHEMBL3765080 0.89 NPSR1 (0.44) MAPTLMNATP53CCR1SMN1; SMN2
SCHEMBL3765245 0.88 RAB9A (0.55) MAPTLMNATP53CCR1SMN1; SMN2
SCHEMBL14608926 0.87 NPSR1 (0.42) MAPTLMNACCR1CYP2C19KCNH2
SCHEMBL3767522 0.86 CCR1 (0.52) MAPTLMNACCR1SMN1; SMN2MEN1
SCHEMBL3772008 0.84 CCR1 (0.59) CCR1CYP2C19KCNH2
SCHEMBL3769396 0.83 ME2 (0.54) MAPTLMNACCR1SMN1; SMN2MEN1
SCHEMBL3767262 0.82 SMN1; SMN2 (0.67) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL3765308 0.82 POLB (0.58) MAPTLMNATP53CYP2C19SMN1; SMN2
SCHEMBL3780583 0.81 MEN1 (0.69) MAPTLMNASMN1; SMN2MEN1KMT2A

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-7851474-B2 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION (US) 2010-12-14 US disclosed
US-7851474-B2 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION (US) 2010-12-14 US disclosed
US-20070049571-A1 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION 2007-03-01 US disclosed
US-20070049571-A1 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION 2007-03-01 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-20070049571-A1 Dipiperazinyl ketones and related analogues HRH4, HRH3, HRH1 MAPT 1475/4885LMNA 2902/4885TP53 3661/4885

“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.