SCHEMBL460277

SCHEMBL460277

C=CCN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 5/20 0.66
DRD2 P14416 3/20 0.58
ADRA1D P25100 2/20 0.58
ADRA1A P35348 2/20 0.58
ADRA2A P08913 2/20 0.58
ADRA2B P18089 2/20 0.58
ADRA2C P18825 2/20 0.58
ABCB11 O95342 1/20 0.58
ALDH1A1 P00352 1/20 0.58
TP53 P04637 1/20 0.58
CYP1A2 P05177 1/20 0.58
CHRM2 P08172 1/20 0.58
CHRM4 P08173 1/20 0.58
HTR1A P08908 1/20 0.58
CHRM5 P08912 1/20 0.58
CYP2D6 P10635 1/20 0.58
CHRM1 P11229 1/20 0.58
TSHR P16473 1/20 0.58
CHRM3 P20309 1/20 0.58
DRD1 P21728 1/20 0.58

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
SCHEMBL11800704 0.84 SETD7 (0.47) SETD7DRD2ADRA1DADRA1AADRA2A
SCHEMBL11811607 0.83 SETD7 (0.58) SETD7DRD2ADRA1DADRA1AADRA2A
SCHEMBL7306252 0.80 SETD7 (0.59) SETD7DRD2ADRA1DADRA1AADRA2A
SCHEMBL7306260 0.80 SETD7 (0.59) SETD7DRD2ADRA1DADRA1AADRA2A
SCHEMBL9455504 0.80 SETD7 (0.68) SETD7DRD2ADRA1DADRA1AADRA2A
SCHEMBL11804707 0.80 SETD7 (0.43) SETD7DRD2ADRA1DADRA1AADRA2A
Hydrochloric Acid SCHEMBL7295701 0.79 SETD7 (0.58) SETD7DRD2ADRA1DADRA1AADRA2A
Hydrochloric Acid SCHEMBL7295705 0.79 SETD7 (0.58) SETD7DRD2ADRA1DADRA1AADRA2A
SCHEMBL11626411 0.78 ADRA1D (0.42) SETD7DRD2ADRA1DADRA1AADRA2A
SCHEMBL11806400 0.78 ADRA1D (0.42) SETD7DRD2ADRA1DADRA1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10398687-B2 Use of cyproheptadine to treat organophosphate exposure REPURPOSED THERAPEUTICS, INC. 2019-09-03 US disclosed
US-20120065194-A1 USE OF CYPROHEPTADINE TO TREAT ORGANOPHOSPHATE EXPOSURE REPURPOSED THERAPEUTICS, INC. 2012-03-15 US disclosed
US-4089864-A 4-(10,11-Dihydro-cis and trans-10,11-dihydroxy-5H-dibenzo[a,d]cyclohepten-5-ylidene)-piperidines MERCK & CO., INC. (US) 1978-05-16 US disclosed
US-3988342-A TRANQUILIZERS MERCK & CO., INC. (US) 1976-10-26 US disclosed
US-3981877-A APPETITE STIMULANTS MERCK & CO., INC. (US) 1976-09-21 US disclosed
US-3981876-A ANTIHISTAMINES, APPETITE STIMULANTS MERCK & CO., INC. (US) 1976-09-21 US disclosed
US-3968115-A OR 11)-BROMO-10,11-DIHYDRO-5H-DIBENZO(A,D)-CYCLOHEPTEN-5-YLIDENE PIPERIDINE COMPOUNDSANTIHISTAMINE, APPETITE STIMULANT MERCK & CO., INC. (US) 1976-07-06 US disclosed
US-3960872-A ANTIHISTAMINES, APPETITE STIMULANT MERCK & CO., INC. (US) 1976-06-01 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 (2 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-20120065194-A1 USE OF CYPROHEPTADINE TO TREAT ORGANOPHOSPHATE EXPOSURE BCHE, ACHE, DDT SETD7 4159/4885DRD2 272/4885ADRA1D 231/4885
US-10398687-B2 Use of cyproheptadine to treat organophosphate exposure BCHE, ACHE, DDT SETD7 4159/4885DRD2 272/4885ADRA1D 231/4885

“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.