SCHEMBL7522067

SCHEMBL7522067

O=C(CN1CCN(c2ccccc2)CC1)Nc1nc2ccccc2s1

nearest known ligand 0.84

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC27A1 Q6PCB7 2/20 0.84
TSHR P16473 1/20 0.64
ALDH1A1 P00352 2/20 0.59
LMNA P02545 1/20 0.59
MMP2 P08253 1/20 0.59
MMP8 P22894 1/20 0.59
NFKB1 P19838 1/20 0.57
CSNK1D P48730 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
POLB P06746 1/20 0.57
LRRK2 Q5S007 1/20 0.56
DRD2 P14416 2/20 0.56
DRD3 P35462 2/20 0.56
DRD4 P21917 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL11270275 0.90 SLC27A1 (0.69) SLC27A1TSHRALDH1A1LMNAMMP2
SCHEMBL6864740 0.86 SLC27A1 (0.67) SLC27A1NFKB1CSNK1DNFKB2RELA
SCHEMBL8354234 0.85 ALDH1A1 (0.76) SLC27A1TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL8358212 0.84 SLC27A1 (0.62) SLC27A1TSHRALDH1A1LMNAMMP2
SCHEMBL3396188 0.84 SLC27A1 (0.64) SLC27A1ALDH1A1NFKB1CSNK1DNFKB2
SCHEMBL5327560 0.83 SLC27A1 (0.66) SLC27A1ALDH1A1NFKB1CSNK1DNFKB2
SCHEMBL4509197 0.82 SLC27A1 (0.62) SLC27A1ALDH1A1NFKB1CSNK1DNFKB2
SCHEMBL5465092 0.80 DRD2 (0.62) SLC27A1ALDH1A1POLBDRD2DRD3
SCHEMBL5333226 0.80 SLC27A1 (0.59) SLC27A1ALDH1A1NFKB1CSNK1DNFKB2
SCHEMBL27909367 0.79 SLC27A1 (0.61) SLC27A1TSHRALDH1A1NFKB1CSNK1D

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-6432958-B1 FOR THERAPY AND PROPHYLAXIS OF NEUROPSYCHOLOGICAL DISORDERS SUCH AS SCHIZOPHRENIA, MANIA, DEMENTIA, DEPRESSION, ANXIETY, COMPULSIVE BEHAVIOR, SUBSTANCE ABUSE, MOTOR DISORDERS AND MOTION DISORDERS RELATED TO USE OF NEUROLEPTIC AGENT NEUROGEN CORPORATION 2002-08-13 US disclosed
US-20020058666-A1 2-piperazinoalkylaminobenzoazole derivatives: dopamine receptor subtype specific ligands NEUROGEN CORPORATION 2002-05-16 US disclosed
US-6284759-B1 PSYCHOLOGICAL DISORDERS; NERVOUS SYSTEM 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-20020058666-A1 2-piperazinoalkylaminobenzoazole derivatives: dopamine receptor subtype specific ligands CHRNA7, HTR7, OPRD1 SLC27A1 1305/4885TSHR 125/4885ALDH1A1 1077/4885

“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.