SCHEMBL4467334

SCHEMBL4467334

O=C(O)CN1CCC(N2CCN(Cc3ccccc3)CC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.61
RECQL P46063 1/20 0.61
ACHE P22303 1/20 0.60
ALDH1A1 P00352 6/20 0.57
KDM4E B2RXH2 5/20 0.57
TSHR P16473 1/20 0.56
CHRM4 P08173 1/20 0.55
DRD2 P14416 1/20 0.54
DRD4 P21917 1/20 0.54
DRD3 P35462 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53

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
Hydrochloric Acid SCHEMBL10317429 0.99 SMN1; SMN2 (0.60) SMN1; SMN2RECQLACHEALDH1A1KDM4E
SCHEMBL3709310 0.88 RECQL (0.70) SMN1; SMN2RECQLACHEALDH1A1KDM4E
Hydrochloric Acid SCHEMBL3706762 0.86 RECQL (0.68) SMN1; SMN2RECQLACHEALDH1A1KDM4E
SCHEMBL2717435 0.86 ALDH1A1 (0.72) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL16641754 0.86 ALDH1A1 (0.72) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL21044023 0.86 ALDH1A1 (0.72) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL8033956 0.86 ALDH1A1 (0.72) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL9058966 0.85 ACHE (0.60) SMN1; SMN2RECQLACHEALDH1A1KDM4E
SCHEMBL10566682 0.85 ALDH1A1 (0.70) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL6963387 0.85 ALDH1A1 (0.70) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A

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-20110071286-A1 NOVEL PREPARATION PROCESS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-24 US disclosed
US-7595312-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-09-29 US disclosed
US-20060079504-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2006-04-13 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-20110071286-A1 NOVEL PREPARATION PROCESS RPLP1, RPLP2, CYP1B1 SMN1; SMN2 941/4885RECQL 487/4885ACHE 2237/4885
US-20060079504-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA SMN1; SMN2 4092/4885RECQL 665/4885ACHE 1031/4885

“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.