SCHEMBL5738243

SCHEMBL5738243

CN1CCN(c2cc(C(F)(F)F)ccc2C=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KCNH2 Q12809 3/20 0.47
DGAT1 O75907 2/20 0.47
SOAT1 P35610 2/20 0.47
SRPK1 Q96SB4 2/20 0.46
ADRB2 P07550 2/20 0.44
HTR1A P08908 3/20 0.43
HTR2C P28335 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HRH4 Q9H3N8 2/20 0.43
TP53 P04637 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
TSHR P16473 2/20 0.43
NFKB1 P19838 2/20 0.43
HTR1D P28221 2/20 0.43
CYP2C19 P33261 2/20 0.43
THPO P40225 2/20 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
SCHEMBL29417758 0.86 SMN1; SMN2 (0.50) LMNASMN1; SMN2SRPK1KDM4ECYP1A2
SCHEMBL15101008 0.86 SMN1; SMN2 (0.50) LMNASMN1; SMN2SRPK1KDM4ECYP1A2
SCHEMBL19582507 0.85 SMN1; SMN2 (0.49) LMNASMN1; SMN2SRPK1KDM4ECYP1A2
SCHEMBL25639667 0.85 SMN1; SMN2 (0.47) LMNASMN1; SMN2ALDH1A1HRH3
SCHEMBL15093911 0.82 LMNA (0.66) LMNASMN1; SMN2KDM4ETSHRHSD17B10
SCHEMBL18914793 0.82 LMNA (0.47) LMNASMN1; SMN2ADRB2KDM4EHSD17B10
SCHEMBL20503423 0.82 ADRB2 (0.54) LMNASMN1; SMN2ADRB2HTR1AHTR2C
SCHEMBL29417642 0.82 LMNA (0.47) LMNASMN1; SMN2ADRB2KDM4EHSD17B10
SCHEMBL20566963 0.82 HRH3 (0.56) LMNASMN1; SMN2ALDH1A1HTR6DRD2
SCHEMBL20503432 0.82 LMNA (0.45) LMNASMN1; SMN2CYP2D6TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3377060-B1 PYRAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND USES THEREOF LUNDBECK LA JOLLA RESEARCH CENTER INC (US) 2020-08-19 EP disclosed
EP-1697353-A2 ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS WITH AFFINITY FOR 5-HT1 RECEPTORS Pfizer Products Incorporated (US) 2006-09-06 EP disclosed
US-20050227980-A1 Aralkyl and aralkylidene heterocyclic lactam and imides PFIZER INC. 2005-10-13 US disclosed
US-20050227981-A1 Aralkyl and aralkylidene heterocyclic lactam and imides PFIZER INC 2005-10-13 US disclosed
WO-2005061491-A2 ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS WITH AFFINITY FOR 5-HT1 RECEPTORS PFIZER PRODUCTS INC. (US) 2005-07-07 WO 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-20050227981-A1 Aralkyl and aralkylidene heterocyclic lactam and imides ARAF, MRPL21, ACSL3 LMNA 2528/4885SMN1; SMN2 2882/4885KCNH2 2312/4885
US-20050227980-A1 Aralkyl and aralkylidene heterocyclic lactam and imides ARAF, MRPL21, ACSL3 LMNA 2528/4885SMN1; SMN2 2882/4885KCNH2 2312/4885

“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.