SCHEMBL24323801

SCHEMBL24323801

O=C(CN1CCCNCC1)Nc1cccc(F)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
TSHR P16473 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
MAPT P10636 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
ALDH1A1 P00352 4/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
KCNT1 Q5JUK3 1/20 0.54
KDM4E B2RXH2 1/20 0.54
THRB P10828 1/20 0.54
DRD4 P21917 2/20 0.53
LMNA P02545 1/20 0.53
JAK3 P52333 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
SCHEMBL1441662 0.82 ALDH1A1 (0.54) POLBTSHRCYP1A2CYP3A4CYP2D6
SCHEMBL7282380 0.80 POLB (0.59) POLBTSHRCYP1A2CYP3A4CYP2D6
SCHEMBL5751507 0.79 ALDH1A1 (0.75) TSHRMAPTALDH1A1MEN1KMT2A
SCHEMBL793647 0.79 ALDH1A1 (0.68) POLBALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6518077 0.79 DRD4 (0.65) POLBTSHRCYP1A2CYP3A4CYP2D6
SCHEMBL24322776 0.78 ALDH1A1 (0.70) POLBTSHRCYP3A4CYP2D6MAPT
Hydrochloric Acid SCHEMBL210978 0.77 ALDH1A1 (0.67) POLBALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL13595586 0.77 KDM4E (0.52) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL10775964 0.77 SMN1; SMN2 (0.72) POLBTSHRMAPTALDH1A1MEN1
SCHEMBL15630650 0.76 POLB (0.55) POLBTSHRCYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof Psomagen Inc. (US) 2022-04-21 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-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof HTRA1, GIPR, HPN POLB 4461/4885TSHR 1902/4885CYP1A2 4765/4885

“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.