SCHEMBL7168688

SCHEMBL7168688

O=C([C@@H]1C[C@H]1c1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.82
▸ ALDH1A1 P00352 2/20 0.77
▸ LMNA P02545 2/20 0.77
▸ MEN1 O00255 2/20 0.77
▸ KMT2A Q03164 2/20 0.77
▸ MAPT P10636 1/20 0.77
▸ TSHR P16473 1/20 0.77
▸ NPSR1 Q6W5P4 1/20 0.77
▸ AR P10275 2/20 0.62
▸ HRH3 Q9Y5N1 12/20 0.60

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
SCHEMBL7165606 0.93 SIGMAR1 (0.70) SIGMAR1ALDH1A1LMNAMEN1KMT2A
SCHEMBL7165607 0.93 SIGMAR1 (0.70) SIGMAR1ALDH1A1LMNAMEN1KMT2A
SCHEMBL23252258 0.81 AR (0.80) SIGMAR1ALDH1A1LMNAMEN1KMT2A
SCHEMBL18061529 0.81 AR (0.80) SIGMAR1ALDH1A1LMNAMEN1KMT2A
SCHEMBL23252259 0.81 AR (0.80) SIGMAR1ALDH1A1LMNAMEN1KMT2A
SCHEMBL15314418 0.79 SIGMAR1 (0.73) SIGMAR1ALDH1A1LMNAMEN1KMT2A
SCHEMBL15314413 0.79 SIGMAR1 (0.73) SIGMAR1ALDH1A1LMNAMEN1KMT2A
SCHEMBL870758 0.78 SIGMAR1 (0.76) SIGMAR1HRH3
SCHEMBL10123280 0.78 SIGMAR1 (0.76) SIGMAR1HRH3
SCHEMBL24564652 0.78 KMT2A (0.57) SIGMAR1ALDH1A1LMNAMEN1KMT2A

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-6544996-B2 A substituted or unsubstituted phenyl-(4-trans-2-phenylcyclopropyl)methylpiperazine compounds or salt useful for treating brain disorders such as schizophrenia, Parkinson, dementia, depression and anxiety NEUROGEN CORPORATION 2003-04-08 — — US disclosed
US-20020022630-A1 1-phenyl-4-(1-[2-aryl]cyclopropyl) methylpiperazines: dopamine receptor ligands NEUROGEN CORPORATION 2002-02-21 — — US disclosed
US-6284761-B1 NERVOUS SYSTEM, PSYCHOLOGICAL DISORDERS NEUROGEN CORPORATION 2001-09-04 — — 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-20020022630-A1 1-phenyl-4-(1-[2-aryl]cyclopropyl) methylpiperazines: dopamine receptor ligands DRD2, DRD4, PARK7 SIGMAR1 57/4885ALDH1A1 391/4885LMNA 4535/4885

“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.

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