SCHEMBL4421969

SCHEMBL4421969

CCCCN(C(=O)N1CCNCC1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.53
MLYCD O95822 5/20 0.50
CHRM2 P08172 2/20 0.48
CHRM1 P11229 2/20 0.48
CHRM3 P20309 2/20 0.48
NPC1 O15118 1/20 0.48
JAK2 O60674 1/20 0.48
RAB9A P51151 1/20 0.48
PAX8 Q06710 1/20 0.48
ALDH1A1 P00352 2/20 0.45
ADRB2 P07550 1/20 0.45
MAPT P10636 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
TP53 P04637 1/20 0.44
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 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
SCHEMBL18390308 0.86 TACR1 (0.56) TACR1MLYCDCHRM2CHRM1CHRM3
SCHEMBL18705039 0.84 LTB4R2 (0.55) TACR1MLYCDCHRM2CHRM1CHRM3
SCHEMBL7282542 0.83 SIGMAR1 (0.58) CHRM2CHRM1CHRM3NPC1JAK2
Hydrochloric Acid SCHEMBL9355851 0.79 SIGMAR1 (0.53) SIGMAR1
SCHEMBL4186083 0.78 CHRM2 (0.44) TACR1CHRM2CHRM1CHRM3NPC1
SCHEMBL4759640 0.76 GAA (0.58) ALDH1A1SIGMAR1MEN1GAAKMT2A
SCHEMBL4558907 0.76 ALDH1A1 (0.50) ALDH1A1SIGMAR1TP53MEN1KMT2A
SCHEMBL5565845 0.76 SIGMAR1 (0.46) TACR1CHRM1CHRM3SIGMAR1KMT2A
SCHEMBL7388960 0.76 ALDH1A1 (0.61) TACR1ALDH1A1SIGMAR1MEN1GAA
SCHEMBL11206683 0.75 CHRM2 (0.44) TACR1CHRM2CHRM1CHRM3NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082362-A1 Use of capsaicin receptor antagonists to treat symptoms of tear gas exposure BAKTHAVATCHALAM RAJAGOPAL 2009-03-26 US disclosed
US-6723730-B2 DIARYL PIPERAZINES AND RELATED COMPOUNDS USEFUL IN THE TREATMENT OF A CHRONIC AND ACUTE PAIN CONDITIONS, ITCH AND URINARY INCONTINENCE. NEUROGEN CORPORATION 2004-04-20 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-20090082362-A1 Use of capsaicin receptor antagonists to treat symptoms of tear gas exposure TRPV1, TRPA1, TRPV5 TACR1 30/4885MLYCD 3652/4885CHRM2 332/4885

“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.